- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 24 families. | |||||
1 | 6CW7 | - | THG | C19 H23 N7 O6 | c1cc(ccc1C.... |
2 | 4QLG | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
3 | 4RGC | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
4 | 5UIP | - | 8DM | C12 H14 N2 O5 | c1cc(ccc1C.... |
5 | 5Z6J | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
6 | 1RB2 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
7 | 1RA9 | Kd = 24 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
8 | 3QYL | Ki = 1 uM | 7ME | C9 H14 N4 | C[C@H]1CCc.... |
9 | 1RA1 | Kd = 24 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
10 | 1RX6 | - | DDF | C21 H25 N5 O6 | c1cc(ccc1C.... |
11 | 6MTH | - | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
12 | 1JOM | - | FFO | C20 H23 N7 O7 | c1cc(ccc1C.... |
13 | 2D0K | Kd = 9.51 uM | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
14 | 1DRA | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
15 | 6MT8 | - | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
16 | 1RC4 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
17 | 5Z6M | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
18 | 2ANQ | ic50 = 0.075 uM | C1A | C14 H22 N8 S2 | [H]/N=C(/N.... |
19 | 4PSY | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
20 | 4KJJ | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
21 | 5CCC | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
22 | 3QYO | Ki = 7 uM | Q24 | C8 H8 N4 | c1ccc2c(c1.... |
23 | 6DFR | Kd = 24 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
24 | 4P68 | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
25 | 1RX1 | Kd = 24 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
26 | 1TDR | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
27 | 3OCH | - | 2MX | C49 H62 N18 O8 | CN(Cc1cnc2.... |
28 | 7DFR | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
29 | 4PSS | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
30 | 6CXK | - | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
31 | 5UJX | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
32 | 6MR9 | - | THG | C19 H23 N7 O6 | c1cc(ccc1C.... |
33 | 2DRC | Kd = 0.13 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
34 | 3R33 | Ki = 0.8 uM | 6ME | C9 H14 N4 | C[C@H]1CCc.... |
35 | 1RB3 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
36 | 1DHI | Kd = 55 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
37 | 1DYI | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
38 | 1RA2 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
39 | 4DFR | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
40 | 4PST | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
41 | 5UIO | - | 8DM | C12 H14 N2 O5 | c1cc(ccc1C.... |
42 | 3DAU | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
43 | 4NX7 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
44 | 3QL3 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
45 | 4PTH | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
46 | 4GH8 | Kd = 2.6 uM | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
47 | 4P3R | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
48 | 3QL0 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
49 | 4P66 | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
50 | 5W3Q | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
51 | 5CC9 | - | DDF | C21 H25 N5 O6 | c1cc(ccc1C.... |
52 | 1DRB | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
53 | 1RG7 | Kd = 0.7 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
54 | 1DDS | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
55 | 1DRH | Kd = 24 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
56 | 6CYV | - | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
57 | 4QLF | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
58 | 1RH3 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
59 | 1RA8 | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
60 | 1DHJ | Kd = 281 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
61 | 4PTJ | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
62 | 1RX3 | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
63 | 5UIH | Kd = 0.188 mM | 8CV | C10 H15 N5 | [H]/N=C(/N.... |
64 | 5Z6F | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
65 | 1DYH | - | DZF | C20 H20 N6 O6 | c1cc(ccc1C.... |
66 | 1RX9 | Kd = 24 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
67 | 3DRC | Kd = 0.7 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
68 | 1DDR | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
69 | 1JOL | - | FFO | C20 H23 N7 O7 | c1cc(ccc1C.... |
70 | 6CQA | - | PQD | C17 H16 N6 | c1cc(cc(c1.... |
71 | 1RX4 | - | DDF | C21 H25 N5 O6 | c1cc(ccc1C.... |
72 | 1RA3 | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
73 | 5Z6L | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
74 | 4P3Q | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
75 | 4KJK | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
76 | 1RF7 | - | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
77 | 1RX5 | - | DDF | C21 H25 N5 O6 | c1cc(ccc1C.... |
78 | 4QLE | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
79 | 1RX2 | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
80 | 1RX7 | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
81 | 4NX6 | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
82 | 5Z6K | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
83 | 1DYJ | - | DDF | C21 H25 N5 O6 | c1cc(ccc1C.... |
84 | 4KJL | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
85 | 3IA4 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
86 | 4OR7 | ic50 = 23 nM | 25U | C19 H18 N6 | CCc1c(c(nc.... |
87 | 5DXV | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 15 families. | |||||
1 | 2FZJ | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
2 | 3K47 | ic50 = 14.5 uM | D09 | C16 H16 N4 O2 | C/C(=Cc1co.... |
3 | 3D80 | - | Q22 | C21 H19 N7 O | c1cc2c(cc1.... |
4 | 3D84 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
5 | 3K45 | ic50 = 3.9 uM | 51P | C16 H16 N4 O2 | C/C(=C/c1c.... |
6 | 1U70 | Ki = 230 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
7 | 4QJC | ic50 = 0.15 uM | IXE | C14 H11 F3 N6 | CN(c1cc(c(.... |
8 | 4QHV | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
9 | 2C2S | ic50 = 0.15 uM | 34B | C8 H20 B10 N4 | [BH]1234[B.... |
10 | 1U71 | - | MXA | C17 H19 N5 O2 | Cc1c(cnc2c.... |
11 | 4G95 | Ki = 24.4 nM | OAG | C14 H12 Cl2 N6 | c1cc(c(cc1.... |
12 | 1OHJ | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
13 | 6A7C | Ki = 22.5 nM | 9QO | C21 H28 N8 O2 | CCc1c(c(nc.... |
14 | 3NZD | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
15 | 3GHV | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
16 | 3NXV | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
17 | 1PD9 | - | CO4 | C19 H24 N6 O3 | Cc1c(cnc2c.... |
18 | 3NXX | Ki = 11 uM | D2D | C19 H22 N4 O2 | CC(C)C/C(=.... |
19 | 1DHF | Kd = 0.111 uM | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
20 | 3F8Y | Ki = 8.3 nM | DH1 | C17 H22 N4 O4 | COc1ccc(cc.... |
21 | 3GYF | ic50 = 12.3 nM | 51P | C16 H16 N4 O2 | C/C(=C/c1c.... |
22 | 6VCJ | Ki = 0.11 mM | NPX | C14 H14 O3 | C[C@H](c1c.... |
23 | 4KFJ | ic50 = 60 nM | 1R0 | C25 H23 N5 O | CCc1c(c(nc.... |
24 | 3S7A | - | 684 | C25 H23 N7 O3 | c1ccc2c(c1.... |
25 | 4M6K | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
26 | 4KAK | ic50 = 1300 nM | 06U | C22 H23 N5 O | CCc1c(c(nc.... |
27 | 1MVT | - | DTM | C18 H22 N6 O3 | CN(Cc1cc(c.... |
28 | 1DRF | Kd = 0.111 uM | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
29 | 1PD8 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
30 | 1S3V | - | TQD | C19 H29 N5 O3 | CN(CC1CCC2.... |
31 | 3NXT | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
32 | 3NU0 | ic50 = 0.1 uM | 3TU | C24 H21 N5 O6 S | c1cc(c2c(c.... |
33 | 4KEB | ic50 = 45 nM | 1QZ | C26 H25 N5 O | CCc1c(c(nc.... |
34 | 1BOZ | ic50 = 8500 nM | PRD | C17 H20 N6 O2 | C[N@](Cc1c.... |
35 | 1DLR | Ki = 16.4 nM | MXA | C17 H19 N5 O2 | Cc1c(cnc2c.... |
36 | 3GHW | Kd = 0.02 uM | GHW | C19 H18 N4 O6 S2 | Cc1c(c2c(s.... |
37 | 1HFR | Ki = 790 nM | MOT | C20 H22 N6 O6 | C[N@](Cc1c.... |
38 | 4M6J | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
39 | 3F91 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
40 | 3NXO | Ki = 0.83 uM | D2B | C18 H20 N4 O2 | CC(C)/C(=C.... |
41 | 4DDR | Ki = 2841 nM | MMV | C18 H24 N4 O4 | CCc1c(c(nc.... |
42 | 3NXY | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
43 | 3F8Z | Ki = 66 nM | DH1 | C17 H22 N4 O4 | COc1ccc(cc.... |
44 | 3S3V | Ki = 593 nM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
45 | 1U72 | Kd = 0.0034 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
46 | 4M6L | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
47 | 1DLS | Ki = 10.9 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
48 | 1KMV | - | LII | C18 H19 N5 O2 | Cc1c(cnc2c.... |
49 | 1MVS | - | DTM | C18 H22 N6 O3 | CN(Cc1cc(c.... |
50 | 4KBN | ic50 = 330 nM | 25U | C19 H18 N6 | CCc1c(c(nc.... |
51 | 3NXR | Ki = 11 uM | D2D | C19 H22 N4 O2 | CC(C)C/C(=.... |
52 | 1S3W | - | TQT | C17 H33 N5 | C1CCC2C(C1.... |
53 | 3NTZ | ic50 = 0.09 uM | 3TZ | C23 H21 N5 O6 S | c1cc(c2c(c.... |
54 | 3GHC | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
55 | 1HFP | Ki = 1036 nM | MOT | C20 H22 N6 O6 | C[N@](Cc1c.... |
56 | 6A7E | Ki = 18.1 nM | 9QR | C21 H28 N8 O2 | CCc1c(c(nc.... |
57 | 2C2T | ic50 = 15 uM | 39B | C8 H20 B9 N4 | [H]1[BH]2[.... |
58 | 3GI2 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
59 | 2DHF | - | DZF | C20 H20 N6 O6 | c1cc(ccc1C.... |
60 | 1OHK | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
61 | 1HFQ | Ki = 2.7 nM | MOT | C20 H22 N6 O6 | C[N@](Cc1c.... |
62 | 1S3U | - | TQD | C19 H29 N5 O3 | CN(CC1CCC2.... |
63 | 3N0H | Ki = 617 nM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
64 | 3EIG | Ki = 21 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
65 | 1KMS | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
66 | 3FS6 | Ki = 230 nM | DH1 | C17 H22 N4 O4 | COc1ccc(cc.... |
67 | 1RA9 | Kd = 24 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
68 | 3QYL | Ki = 1 uM | 7ME | C9 H14 N4 | C[C@H]1CCc.... |
69 | 1RA1 | Kd = 24 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
70 | 1RX6 | - | DDF | C21 H25 N5 O6 | c1cc(ccc1C.... |
71 | 6MTH | - | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
72 | 1JOM | - | FFO | C20 H23 N7 O7 | c1cc(ccc1C.... |
73 | 2D0K | Kd = 9.51 uM | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
74 | 1DRA | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
75 | 6MT8 | - | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
76 | 1RC4 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
77 | 5Z6M | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
78 | 2ANQ | ic50 = 0.075 uM | C1A | C14 H22 N8 S2 | [H]/N=C(/N.... |
79 | 4PSY | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
80 | 4KJJ | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
81 | 5CCC | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
82 | 3QYO | Ki = 7 uM | Q24 | C8 H8 N4 | c1ccc2c(c1.... |
83 | 6DFR | Kd = 24 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
84 | 4P68 | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
85 | 1RX1 | Kd = 24 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
86 | 1TDR | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
87 | 3OCH | - | 2MX | C49 H62 N18 O8 | CN(Cc1cnc2.... |
88 | 7DFR | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
89 | 4PSS | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
90 | 6CXK | - | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
91 | 5UJX | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
92 | 6MR9 | - | THG | C19 H23 N7 O6 | c1cc(ccc1C.... |
93 | 2DRC | Kd = 0.13 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
94 | 3R33 | Ki = 0.8 uM | 6ME | C9 H14 N4 | C[C@H]1CCc.... |
95 | 1RB3 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
96 | 1DHI | Kd = 55 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
97 | 1DYI | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
98 | 1RA2 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
99 | 4DFR | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
100 | 4PST | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
101 | 5UIO | - | 8DM | C12 H14 N2 O5 | c1cc(ccc1C.... |
102 | 3DAU | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
103 | 4NX7 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
104 | 3QL3 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
105 | 4PTH | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
106 | 4GH8 | Kd = 2.6 uM | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
107 | 4P3R | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
108 | 3QL0 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
109 | 4P66 | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
110 | 5W3Q | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
111 | 5CC9 | - | DDF | C21 H25 N5 O6 | c1cc(ccc1C.... |
112 | 1DRB | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
113 | 1RG7 | Kd = 0.7 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
114 | 1DDS | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
115 | 1DRH | Kd = 24 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
116 | 6CYV | - | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
117 | 4QLF | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
118 | 1RH3 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
119 | 1RA8 | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
120 | 1DHJ | Kd = 281 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
121 | 4PTJ | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
122 | 1RX3 | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
123 | 5UIH | Kd = 0.188 mM | 8CV | C10 H15 N5 | [H]/N=C(/N.... |
124 | 5Z6F | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
125 | 1DYH | - | DZF | C20 H20 N6 O6 | c1cc(ccc1C.... |
126 | 1RX9 | Kd = 24 uM | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
127 | 3DRC | Kd = 0.7 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
128 | 1DDR | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
129 | 1JOL | - | FFO | C20 H23 N7 O7 | c1cc(ccc1C.... |
130 | 6CQA | - | PQD | C17 H16 N6 | c1cc(cc(c1.... |
131 | 1RX4 | - | DDF | C21 H25 N5 O6 | c1cc(ccc1C.... |
132 | 1RA3 | - | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
133 | 5Z6L | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
134 | 4P3Q | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
135 | 4KJK | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
136 | 1RF7 | - | DHF | C19 H21 N7 O6 | c1cc(ccc1C.... |
137 | 1RX5 | - | DDF | C21 H25 N5 O6 | c1cc(ccc1C.... |
138 | 4QLE | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
139 | 1RX2 | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
140 | 1RX7 | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
141 | 4NX6 | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
142 | 5Z6K | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
143 | 1DYJ | - | DDF | C21 H25 N5 O6 | c1cc(ccc1C.... |
144 | 4KJL | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
145 | 3FQO | ic50 = 0.67 uM | N22 | C17 H20 N4 O2 | CCc1c(c(nc.... |
146 | 3SRU | Ki = 0.02 nM | Q26 | C23 H23 N5 O3 S | CCOc1ccc(c.... |
147 | 3FY9 | Ki = 3.5 nM | XCF | C19 H22 N4 O3 | COc1cc(c2c.... |
148 | 6PRD | Ki = 1 nM | OWG | C33 H38 N6 O6 | COc1ccc(cc.... |
149 | 4LEK | Ki = 0.16 nM | 1DN | C20 H17 N7 O2 S | COc1cc2c(c.... |
150 | 6PR9 | Ki = 2.6 nM | OWV | C29 H36 N6 O3 | CCC(CC)[C@.... |
151 | 4TU5 | ic50 = 18 nM | 06W | C22 H23 N5 O | CCc1c(c(nc.... |
152 | 2W9G | Kd = 8.1 nM | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
153 | 3SRQ | Ki = 0.48 nM | Q19 | C17 H16 N4 O | Cc1cc2c(cc.... |
154 | 4LAG | Ki = 0.011 nM | 1VN | C20 H16 Cl N7 S | Cc1cc2c(cc.... |
155 | 3M08 | Ki = 2.8 nM | RAR | C27 H30 N6 O3 | CCC[C@H]1c.... |
156 | 3FYW | Ki = 0.23 nM | XCF | C19 H22 N4 O3 | COc1cc(c2c.... |
157 | 3FRD | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
158 | 3F0Q | Ki = 10 nM | 52V | C24 H26 N4 O | Cc1cccc(c1.... |
159 | 2W9H | Kd = 430 nM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
160 | 4LAE | Ki = 0.002 nM | 1VM | C20 H17 N7 S | Cc1cc2c(cc.... |
161 | 3FYV | Ki = 0.22 nM | XCF | C19 H22 N4 O3 | COc1cc(c2c.... |
162 | 3F0U | ic50 = 0.19 uM | 53R | C22 H22 N4 O | Cc1c(c(nc(.... |
163 | 6PR7 | Ki = 1.4 nM | OWP | C31 H32 N6 O3 | COc1cc(cc(.... |
164 | 3FQ0 | ic50 = 0.068 uM | N22 | C17 H20 N4 O2 | CCc1c(c(nc.... |
165 | 3FQF | ic50 = 0.75 uM | 55V | C19 H24 N4 O3 | Cc1c(c(nc(.... |
166 | 3SRS | Ki = 0.76 nM | M23 | C17 H17 Br N4 O | CCOc1ccc(c.... |
167 | 3F0B | ic50 = 0.061 uM | 53R | C22 H22 N4 O | Cc1c(c(nc(.... |
168 | 3FRA | Ka = 76000000 M^-1 | I2H | C19 H22 N4 O3 | COc1cc(c2c.... |
169 | 5ISQ | Ki = 158.3 nM | U06 | C23 H22 N4 O3 | CCc1c(c(nc.... |
170 | 4FGH | Ki = 2.9 nM | 0U6 | C30 H34 N6 O3 | CCc1c(c(nc.... |
171 | 6PR6 | Ki = 1.7 nM | OWS | C31 H30 N6 O3 | Cc1ccc(cc1.... |
172 | 3FRB | Ka = 5800000 M^-1 | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
173 | 3SRR | Ki = 0.24 nM | Q20 | C18 H18 N4 O2 | CCOc1ccc(c.... |
174 | 5JG0 | ic50 = 0.01 uM | UC9 | C24 H22 N4 O4 | CCc1c(c(nc.... |
175 | 3FQV | ic50 = 0.77 uM | 11F | C22 H22 N4 O | Cc1c(c(nc(.... |
176 | 6PBO | Ki = 2 nM | O71 | C25 H24 N4 O4 | CCc1c(c(nc.... |
177 | 5ISP | Ki = 11.75 nM | U06 | C23 H22 N4 O3 | CCc1c(c(nc.... |
178 | 6PR8 | Ki = 1.4 nM | OWJ | C32 H32 N6 O3 | Cc1cc(cc(c.... |
179 | 6ND2 | - | G8J | C22 H23 N5 O | CCc1c(c(nc.... |
180 | 4LAH | Ki = 0.096 nM | 1VO | C20 H17 N7 S | Cc1cc2c(cc.... |
181 | 3SRW | Ki = 0.026 nM | Q27 | C21 H20 N4 O | CCOc1ccc2c.... |
182 | 3I8A | Ki = 0.12 uM | N22 | C17 H20 N4 O2 | CCc1c(c(nc.... |
183 | 3M09 | Ki = 0.9 nM | RAR | C27 H30 N6 O3 | CCC[C@H]1c.... |
184 | 4FGG | Ki = 4.1 nM | 0U5 | C31 H36 N6 O3 | CCCc1c(c(n.... |
185 | 6PRA | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
186 | 6P9Z | Ki = 0.71 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
187 | 3FRE | Ki = 0.0006 uM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
188 | 5IST | Ki = 3.89 nM | U06 | C23 H22 N4 O3 | CCc1c(c(nc.... |
189 | 3FY8 | Ki = 0.9 nM | XCF | C19 H22 N4 O3 | COc1cc(c2c.... |
190 | 6PRB | Ki = 0.7 nM | OWM | C29 H32 N6 O5 | COc1cc(cc(.... |
191 | 3SR5 | Ki = 0.35 nM | Q12 | C17 H18 N4 O2 | Cc1cc2c(cc.... |
192 | 3IX9 | Ki = 3.9 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
193 | 3DFR | ic50 = 3 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
194 | 1M79 | ic50 = 320 nM | MQ1 | C15 H14 N4 O2 | COc1ccc(cc.... |
195 | 3QLR | ic50 = 45 nM | QLR | C19 H24 N4 O3 | CC[C@@H](C.... |
196 | 1AOE | Ki = 0.22 nM | GW3 | C15 H19 N5 | CCC(CC)n1c.... |
197 | 1IA3 | ic50 = 8 nM | TQ5 | C18 H20 N4 S | CC(C)(C)c1.... |
198 | 4HOF | ic50 = 20 nM | 18H | C22 H22 N4 O | Cc1c(c(nc(.... |
199 | 3QLW | ic50 = 100 nM | N22 | C17 H20 N4 O2 | CCc1c(c(nc.... |
200 | 1IA1 | ic50 = 0.034 uM | TQ3 | C14 H12 N4 S | c1ccc(cc1).... |
201 | 3QLS | ic50 = 33 nM | 55V | C19 H24 N4 O3 | Cc1c(c(nc(.... |
202 | 1AI9 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
203 | 1IA4 | ic50 = 0.13 uM | TQ6 | C18 H19 N5 O S | c1cc2c(c(c.... |
204 | 4HOE | ic50 = 36 nM | 18G | C23 H24 N4 O2 | Cc1c(c(nc(.... |
205 | 1M7A | ic50 = 9 nM | MQU | C15 H19 N5 O2 | COCC(COC)n.... |
206 | 1M78 | ic50 = 52 nM | CLZ | C8 H8 Cl N5 O2 | c1cc2c(c(c.... |
207 | 1IA2 | ic50 = 0.023 uM | TQ4 | C15 H14 N4 S | Cc1ccc(cc1.... |
208 | 3QLZ | ic50 = 15 nM | QLZ | C18 H22 N4 O2 | CCCc1c(c(n.... |
209 | 3EEK | ic50 = 0.61 nM | 53S | C23 H24 N4 O | Cc1ccc(cc1.... |
210 | 3CSE | ic50 = 8.2 nM | N22 | C17 H20 N4 O2 | CCc1c(c(nc.... |
211 | 3QLX | ic50 = 27 nM | QLR | C19 H24 N4 O3 | CC[C@@H](C.... |
212 | 3EEJ | ic50 = 7.3 nM | 53R | C22 H22 N4 O | Cc1c(c(nc(.... |
213 | 3EEM | ic50 = 5.5 nM | 53V | C24 H26 N4 O | Cc1cccc(c1.... |
214 | 4HOG | ic50 = 5.5 nM | 18H | C22 H22 N4 O | Cc1c(c(nc(.... |
215 | 3IA4 | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
216 | 1DR6 | - | HBI | C9 H13 N5 O3 | C[C@@H]([C.... |
217 | 1DR1 | - | HBI | C9 H13 N5 O3 | C[C@@H]([C.... |
218 | 1DR3 | - | HBI | C9 H13 N5 O3 | C[C@@H]([C.... |
219 | 1DR4 | - | HBI | C9 H13 N5 O3 | C[C@@H]([C.... |
220 | 1DR7 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
221 | 1DR2 | - | TAP | C21 H28 N7 O16 P3 S | c1cc(c[n+].... |
222 | 1DR5 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
223 | 8DFR | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
224 | 4ELG | Ki = 6.9 nM | 52J | C28 H32 N6 O3 | CC(C)C[C@H.... |
225 | 3DAT | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
226 | 3E0B | ic50 = 0.89 uM | N22 | C17 H20 N4 O2 | CCc1c(c(nc.... |
227 | 2QK8 | ic50 ~ 20 nM | MTX | C20 H22 N8 O5 | CN(Cc1cnc2.... |
228 | 4ELE | Ki = 13.2 nM | 31I | C27 H30 N6 O3 | CC(C)[C@H].... |
229 | 4ELH | Ki = 8.2 nM | 53I | C28 H30 N6 O3 | CC(=C[C@@H.... |
230 | 3FL8 | ic50 = 54 nM | RAR | C27 H30 N6 O3 | CCC[C@H]1c.... |
231 | 4ELF | Ki = 9.4 nM | 35I | C27 H27 F3 N6 O3 | COc1cc(cc(.... |
232 | 3FL9 | ic50 = 77.2 mM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
233 | 1S3Y | ic50 = 210 nM | TQT | C17 H33 N5 | C1CCC2C(C1.... |
234 | 4IXG | ic50 = 0.076 uM | IXG | C14 H14 N6 | CN(c1ccccc.... |
235 | 2FZH | ic50 = 0.049 nM | DH1 | C17 H22 N4 O4 | COc1ccc(cc.... |
236 | 4CD2 | - | FOL | C19 H19 N7 O6 | c1cc(ccc1C.... |
237 | 3NZC | - | D2O | C24 H25 N5 O2 | Cc1c(cnc2c.... |
238 | 3NZA | - | D2K | C22 H27 N5 O4 | CCOC(=O)CC.... |
239 | 4G8Z | Ki = 227 nM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
240 | 3NZ6 | ic50 = 1.3 nM | D2J | C22 H27 N5 O4 | Cc1c(cnc2c.... |
241 | 1CD2 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
242 | 3NZB | ic50 = 35 nM | D2N | C24 H31 N5 O4 | CCOC(=O)CC.... |
243 | 3NZ9 | ic50 = 6.5 nM | D2K | C22 H27 N5 O4 | CCOC(=O)CC.... |
244 | 1DYR | ic50 = 20 uM | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
245 | 3TD8 | ic50 = 1.2 nM | D2R | C22 H23 N5 O3 | Cc1c(cnc2c.... |
246 | 1LY3 | ic50 = 87 nM | COG | C18 H21 N5 O2 | CN(Cc1cc(c.... |
247 | 3CD2 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
248 | 1VJ3 | ic50 = 0.17 uM | TAB | C23 H26 Cl N7 O2 | CCc1c(c(nc.... |
249 | 1E26 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
250 | 1DAJ | Ki = 6.5 nM | MOT | C20 H22 N6 O6 | C[N@](Cc1c.... |
251 | 2FZI | ic50 = 1 nM | DH3 | C19 H22 N4 O4 | COc1cc(cc(.... |
252 | 4IXE | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
253 | 1KLK | ic50 = 0.21 uM | PMD | C21 H17 N7 | c1ccc2c(c1.... |
254 | 2CD2 | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
255 | 4IXF | - | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
256 | 1LY4 | ic50 = 76 nM | COQ | C17 H20 N6 O2 | CN(Cc1cc(c.... |
257 | 6RUM | - | TOP | C14 H18 N4 O3 | COc1cc(cc(.... |
258 | 4M7V | Ki = 4.5 nM | RAR | C27 H30 N6 O3 | CCC[C@H]1c.... |
259 | 4M7U | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
260 | 2W9S | Kd = 2370 nM | NDP | C21 H30 N7 O17 P3 | c1nc(c2c(n.... |
261 | 4OR7 | ic50 = 23 nM | 25U | C19 H18 N6 | CCc1c(c(nc.... |
262 | 5DXV | - | NAP | C21 H28 N7 O17 P3 | c1cc(c[n+].... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NDP | 1 | 1 |
2 | 0WD | 0.827273 | 1 |
3 | NAI | 0.803738 | 0.986842 |
4 | NMN AMP PO4 | 0.794643 | 0.948052 |
5 | NPW | 0.692308 | 0.962025 |
6 | NZQ | 0.686441 | 0.987013 |
7 | 1DG | 0.68 | 1 |
8 | DG1 | 0.68 | 1 |
9 | A2R | 0.650943 | 0.909091 |
10 | A22 | 0.64486 | 0.934211 |
11 | TXP | 0.644628 | 0.924051 |
12 | ATR | 0.640777 | 0.894737 |
13 | NA7 | 0.636364 | 0.886076 |
14 | XNP | 0.620968 | 0.949367 |
15 | AP0 | 0.598361 | 0.948718 |
16 | A2P | 0.598039 | 0.881579 |
17 | NJP | 0.574803 | 0.923077 |
18 | 25L | 0.550847 | 0.934211 |
19 | ODP | 0.550388 | 0.936709 |
20 | NAX | 0.544 | 0.949367 |
21 | 25A | 0.53913 | 0.921053 |
22 | 80F | 0.537879 | 0.914634 |
23 | 2AM | 0.529412 | 0.87013 |
24 | NDP DTT | 0.528169 | 0.891566 |
25 | 6V0 | 0.519685 | 0.974026 |
26 | NAP | 0.514493 | 0.922078 |
27 | 7L1 | 0.507143 | 0.763441 |
28 | EAD | 0.507143 | 0.949367 |
29 | A2D | 0.504673 | 0.921053 |
30 | TXE | 0.503876 | 0.935897 |
31 | NA0 | 0.496454 | 0.910256 |
32 | TXD | 0.496124 | 0.911392 |
33 | AGS | 0.495575 | 0.875 |
34 | P1H | 0.493056 | 0.925926 |
35 | CO7 | 0.489796 | 0.791209 |
36 | TAP | 0.489362 | 0.864198 |
37 | HQG | 0.483051 | 0.909091 |
38 | PAP | 0.482456 | 0.907895 |
39 | BA3 | 0.481818 | 0.921053 |
40 | NAJ PZO | 0.478261 | 0.924051 |
41 | ATP | 0.477876 | 0.921053 |
42 | HEJ | 0.477876 | 0.921053 |
43 | B4P | 0.477477 | 0.921053 |
44 | AP5 | 0.477477 | 0.921053 |
45 | ADP | 0.477477 | 0.921053 |
46 | OAD | 0.47541 | 0.897436 |
47 | 5FA | 0.473684 | 0.921053 |
48 | APR | 0.473684 | 0.896104 |
49 | AR6 | 0.473684 | 0.896104 |
50 | AQP | 0.473684 | 0.921053 |
51 | AN2 | 0.473214 | 0.909091 |
52 | 3OD | 0.467742 | 0.897436 |
53 | 50T | 0.464912 | 0.884615 |
54 | NAJ PYZ | 0.464789 | 0.879518 |
55 | 9X8 | 0.463415 | 0.851852 |
56 | PO4 PO4 A A A A PO4 | 0.463415 | 0.857143 |
57 | V3L | 0.461538 | 0.896104 |
58 | 2A5 | 0.46087 | 0.85 |
59 | AT4 | 0.460177 | 0.886076 |
60 | ADQ | 0.459016 | 0.897436 |
61 | 4AD | 0.459016 | 0.875 |
62 | A1R | 0.459016 | 0.841463 |
63 | OVE | 0.458716 | 0.8375 |
64 | OMR | 0.458647 | 0.813953 |
65 | PPS | 0.457627 | 0.811765 |
66 | AD9 | 0.456897 | 0.897436 |
67 | CA0 | 0.45614 | 0.897436 |
68 | M33 | 0.45614 | 0.884615 |
69 | ADJ | 0.455882 | 0.879518 |
70 | A3P | 0.455357 | 0.894737 |
71 | KG4 | 0.452174 | 0.897436 |
72 | ACP | 0.452174 | 0.897436 |
73 | ENP | 0.451613 | 0.85 |
74 | UP5 | 0.451128 | 0.948052 |
75 | SRP | 0.45 | 0.8625 |
76 | ACQ | 0.449153 | 0.897436 |
77 | ANP | 0.449153 | 0.897436 |
78 | PRX | 0.448276 | 0.82716 |
79 | A3R | 0.447154 | 0.841463 |
80 | 5AL | 0.445378 | 0.884615 |
81 | KMQ | 0.445312 | 0.886076 |
82 | 7D4 | 0.443478 | 0.8375 |
83 | ADX | 0.443478 | 0.811765 |
84 | 8LQ | 0.442623 | 0.8625 |
85 | 8LH | 0.438017 | 0.8625 |
86 | 6YZ | 0.438017 | 0.897436 |
87 | A | 0.436364 | 0.894737 |
88 | AMP | 0.436364 | 0.894737 |
89 | 4TC | 0.433824 | 0.924051 |
90 | 7D3 | 0.433628 | 0.8375 |
91 | DCA | 0.433566 | 0.788889 |
92 | ETB | 0.433566 | 0.797753 |
93 | 8LE | 0.433333 | 0.851852 |
94 | 1ZZ | 0.433071 | 0.802326 |
95 | BIS | 0.433071 | 0.864198 |
96 | JNT | 0.432 | 0.873418 |
97 | 00A | 0.432 | 0.864198 |
98 | QA7 | 0.430894 | 0.851852 |
99 | ATF | 0.429752 | 0.886076 |
100 | DQV | 0.428571 | 0.934211 |
101 | 0T1 | 0.427586 | 0.788889 |
102 | 8QN | 0.427419 | 0.884615 |
103 | 5SV | 0.427419 | 0.788235 |
104 | 3AM | 0.427273 | 0.857143 |
105 | N01 | 0.426573 | 0.884615 |
106 | LAD | 0.425197 | 0.821429 |
107 | WAQ | 0.425197 | 0.841463 |
108 | PR8 | 0.425197 | 0.811765 |
109 | DTP | 0.425 | 0.8375 |
110 | PAJ | 0.424 | 0.843373 |
111 | AMO | 0.424 | 0.886076 |
112 | APC | 0.423729 | 0.886076 |
113 | UPA | 0.423358 | 0.935897 |
114 | 48N | 0.422222 | 0.853659 |
115 | PTJ | 0.421875 | 0.853659 |
116 | FYA | 0.421875 | 0.860759 |
117 | CNA | 0.421429 | 0.910256 |
118 | PUA | 0.42069 | 0.9125 |
119 | DND | 0.419118 | 0.910256 |
120 | AV2 | 0.418033 | 0.848101 |
121 | COA | 0.417808 | 0.788889 |
122 | 3UK | 0.417323 | 0.897436 |
123 | OOB | 0.416 | 0.909091 |
124 | IVC | 0.415584 | 0.78022 |
125 | DAT | 0.415254 | 0.8375 |
126 | NDO | 0.414966 | 0.897436 |
127 | 139 | 0.414286 | 0.901235 |
128 | B5V | 0.414062 | 0.886076 |
129 | TAT | 0.413223 | 0.886076 |
130 | 3AT | 0.413223 | 0.896104 |
131 | T99 | 0.413223 | 0.886076 |
132 | L3W | 0.413043 | 0.960526 |
133 | YLB | 0.413043 | 0.784091 |
134 | 62F | 0.4125 | 0.823529 |
135 | 45A | 0.412281 | 0.848101 |
136 | ABM | 0.412281 | 0.848101 |
137 | B5M | 0.412214 | 0.875 |
138 | YLP | 0.411765 | 0.784091 |
139 | ME8 | 0.410853 | 0.802326 |
140 | NB8 | 0.410853 | 0.853659 |
141 | SON | 0.410256 | 0.886076 |
142 | DLL | 0.409449 | 0.909091 |
143 | AHX | 0.409449 | 0.853659 |
144 | COS | 0.409396 | 0.771739 |
145 | AMX | 0.409396 | 0.797753 |
146 | CAO | 0.409396 | 0.763441 |
147 | 30N | 0.409396 | 0.72449 |
148 | 7D5 | 0.409091 | 0.8125 |
149 | 4UW | 0.408759 | 0.9125 |
150 | F2R | 0.408451 | 0.825581 |
151 | APX | 0.407692 | 0.841463 |
152 | AMP MG | 0.40708 | 0.857143 |
153 | SRA | 0.40708 | 0.85 |
154 | SCO | 0.406667 | 0.788889 |
155 | CMX | 0.406667 | 0.788889 |
156 | TYM | 0.405797 | 0.886076 |
157 | COD | 0.405594 | 0.777778 |
158 | OXK | 0.405229 | 0.771739 |
159 | CA6 | 0.405229 | 0.70297 |
160 | AP2 | 0.405172 | 0.886076 |
161 | A12 | 0.405172 | 0.886076 |
162 | OZV | 0.404762 | 0.896104 |
163 | 9SN | 0.40458 | 0.853659 |
164 | LAQ | 0.404412 | 0.802326 |
165 | T5A | 0.404255 | 0.914634 |
166 | FCX | 0.403974 | 0.763441 |
167 | FAM | 0.403974 | 0.771739 |
168 | ACO | 0.403974 | 0.763441 |
169 | CUU | 0.403361 | 0.896104 |
170 | YLC | 0.402878 | 0.823529 |
171 | 1VU | 0.402597 | 0.763441 |
172 | B5Y | 0.401515 | 0.875 |
173 | FA5 | 0.401515 | 0.886076 |
174 | HAX | 0.401316 | 0.771739 |
175 | CAJ | 0.4 | 0.771739 |
176 | AR6 AR6 | 0.4 | 0.871795 |
177 | TXA | 0.4 | 0.886076 |
178 | APU | 0.4 | 0.923077 |
179 | 4UU | 0.4 | 0.948052 |
180 | AFH | 0.4 | 0.843373 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 4MU | 0.9790 |
2 | KJU | 0.9727 |
3 | Q24 | 0.9709 |
4 | M1Q | 0.9656 |
5 | J9W | 0.9655 |
6 | 4HC | 0.9640 |
7 | URC | 0.9610 |
8 | 5GU | 0.9604 |
9 | 0XT | 0.9556 |
10 | PE0 | 0.9543 |
11 | M5K | 0.9538 |
12 | AQO | 0.9530 |
13 | DIN | 0.9530 |
14 | 8TX | 0.9530 |
15 | AJ2 | 0.9520 |
16 | TT4 | 0.9512 |
17 | M6N | 0.9510 |
18 | QX4 | 0.9510 |
19 | DRL | 0.9508 |
20 | R9Y | 0.9507 |
21 | DX3 | 0.9501 |
22 | MRW | 0.9500 |
23 | DQU | 0.9493 |
24 | MO8 | 0.9490 |
25 | A7W | 0.9490 |
26 | 15E | 0.9480 |
27 | BGC | 0.9475 |
28 | MEW | 0.9470 |
29 | B55 | 0.9469 |
30 | FLV | 0.9456 |
31 | HQD | 0.9454 |
32 | B62 | 0.9452 |
33 | 44W | 0.9451 |
34 | 8WO | 0.9441 |
35 | JP2 | 0.9434 |
36 | ROI | 0.9416 |
37 | CLZ | 0.9416 |
38 | 0N7 | 0.9414 |
39 | 44V | 0.9412 |
40 | X0W | 0.9408 |
41 | KT7 | 0.9399 |
42 | GLC | 0.9396 |
43 | 1LQ | 0.9394 |
44 | 8ZE | 0.9392 |
45 | AZ8 | 0.9390 |
46 | VK3 | 0.9381 |
47 | 8IG | 0.9373 |
48 | TWO | 0.9364 |
49 | LGC | 0.9360 |
50 | 3PF | 0.9360 |
51 | MUA | 0.9357 |
52 | VNL | 0.9353 |
53 | 5QY | 0.9353 |
54 | HBO | 0.9350 |
55 | 6VD | 0.9347 |
56 | 9MG | 0.9347 |
57 | 24W | 0.9343 |
58 | 8NX | 0.9343 |
59 | KUF | 0.9338 |
60 | 9DG | 0.9338 |
61 | K3Q | 0.9334 |
62 | CKA | 0.9332 |
63 | VOH | 0.9331 |
64 | 75K | 0.9329 |
65 | QBK | 0.9327 |
66 | BZJ | 0.9326 |
67 | KBG | 0.9325 |
68 | 0W8 | 0.9325 |
69 | XHP | 0.9323 |
70 | SYV | 0.9320 |
71 | 7B3 | 0.9320 |
72 | 9FL | 0.9319 |
73 | 8W9 | 0.9318 |
74 | I3A | 0.9318 |
75 | H42 | 0.9314 |
76 | 3IT | 0.9314 |
77 | B60 | 0.9312 |
78 | 1A7 | 0.9311 |
79 | OA3 | 0.9310 |
80 | JND | 0.9307 |
81 | APZ | 0.9306 |
82 | 0FO | 0.9295 |
83 | G3E | 0.9295 |
84 | 5JQ | 0.9291 |
85 | 226 | 0.9291 |
86 | R8V | 0.9291 |
87 | 2LY | 0.9290 |
88 | MAQ | 0.9284 |
89 | OTW | 0.9283 |
90 | XAN | 0.9283 |
91 | 0P6 | 0.9283 |
92 | COU | 0.9282 |
93 | XQI | 0.9278 |
94 | 3WA | 0.9278 |
95 | 30G | 0.9272 |
96 | EV0 | 0.9272 |
97 | RXA | 0.9269 |
98 | 7ZE | 0.9267 |
99 | 0W1 | 0.9267 |
100 | 28N | 0.9267 |
101 | GUN | 0.9265 |
102 | NQ | 0.9263 |
103 | 5QX | 0.9263 |
104 | F12 | 0.9261 |
105 | 1KP | 0.9260 |
106 | C2Y | 0.9259 |
107 | ORO | 0.9259 |
108 | 5JL | 0.9258 |
109 | OCH | 0.9256 |
110 | SRO | 0.9255 |
111 | 5OB | 0.9252 |
112 | LDR | 0.9250 |
113 | BDP | 0.9249 |
114 | Q88 | 0.9248 |
115 | FOT | 0.9247 |
116 | UFO | 0.9245 |
117 | 4VY | 0.9245 |
118 | D48 | 0.9245 |
119 | GAL | 0.9244 |
120 | CH9 | 0.9244 |
121 | 0F9 | 0.9244 |
122 | OXC | 0.9244 |
123 | AX3 | 0.9241 |
124 | N2I | 0.9241 |
125 | G12 | 0.9240 |
126 | MVN | 0.9239 |
127 | BTY | 0.9239 |
128 | AJY | 0.9237 |
129 | 9AP | 0.9236 |
130 | JB5 | 0.9234 |
131 | JG8 | 0.9228 |
132 | 8XQ | 0.9228 |
133 | 8S0 | 0.9228 |
134 | CTS | 0.9227 |
135 | SE2 | 0.9224 |
136 | MS9 | 0.9223 |
137 | V55 | 0.9223 |
138 | DBJ | 0.9222 |
139 | 1SQ | 0.9220 |
140 | AZA | 0.9220 |
141 | GVG | 0.9219 |
142 | KIB | 0.9219 |
143 | 5WY | 0.9218 |
144 | 4HM | 0.9217 |
145 | 54G | 0.9217 |
146 | 4JT | 0.9216 |
147 | SWA | 0.9215 |
148 | BPU | 0.9213 |
149 | PEY | 0.9212 |
150 | KKN | 0.9211 |
151 | TXW | 0.9210 |
152 | PXL | 0.9210 |
153 | F2W | 0.9208 |
154 | BZ3 | 0.9208 |
155 | XAZ | 0.9203 |
156 | ICO | 0.9201 |
157 | 3NY | 0.9200 |
158 | 6NT | 0.9199 |
159 | 5RN | 0.9199 |
160 | TTL | 0.9198 |
161 | Q6T | 0.9197 |
162 | 03V | 0.9196 |
163 | ES2 | 0.9196 |
164 | PRZ | 0.9196 |
165 | VXX | 0.9193 |
166 | FDR | 0.9192 |
167 | HLZ | 0.9191 |
168 | 2AQ | 0.9190 |
169 | 3Z8 | 0.9190 |
170 | 4FS | 0.9188 |
171 | ISN | 0.9188 |
172 | 4YS | 0.9188 |
173 | GTQ | 0.9188 |
174 | 4ME | 0.9187 |
175 | NDH | 0.9187 |
176 | 3R6 | 0.9186 |
177 | 0HO | 0.9186 |
178 | ES1 | 0.9185 |
179 | SXS | 0.9184 |
180 | 069 | 0.9183 |
181 | JBH | 0.9182 |
182 | 4JQ | 0.9182 |
183 | ES5 | 0.9181 |
184 | UAN | 0.9180 |
185 | ODO | 0.9179 |
186 | EUG | 0.9178 |
187 | 5RG | 0.9178 |
188 | 3MG | 0.9176 |
189 | Q71 | 0.9174 |
190 | DOR | 0.9174 |
191 | CFF | 0.9174 |
192 | 1QP | 0.9174 |
193 | 8WT | 0.9173 |
194 | 5SG | 0.9173 |
195 | 5M0 | 0.9173 |
196 | ES7 | 0.9171 |
197 | Q7A | 0.9171 |
198 | 1NP | 0.9170 |
199 | 2ZQ | 0.9168 |
200 | 2AL | 0.9167 |
201 | A13 | 0.9167 |
202 | M1Z | 0.9166 |
203 | 0HN | 0.9166 |
204 | O72 | 0.9164 |
205 | J5I | 0.9163 |
206 | M1H | 0.9162 |
207 | RM1 | 0.9161 |
208 | 2FY | 0.9160 |
209 | 92P | 0.9159 |
210 | GDE | 0.9159 |
211 | 1LM | 0.9158 |
212 | JBQ | 0.9156 |
213 | F0J | 0.9156 |
214 | HQY | 0.9154 |
215 | ABI | 0.9151 |
216 | JPZ | 0.9150 |
217 | IGA | 0.9150 |
218 | 1P8 | 0.9150 |
219 | JTH | 0.9150 |
220 | MWP | 0.9150 |
221 | 9KT | 0.9147 |
222 | 535 | 0.9146 |
223 | ASO | 0.9145 |
224 | DHK | 0.9145 |
225 | 4NC | 0.9144 |
226 | NAG | 0.9140 |
227 | TOF | 0.9140 |
228 | NOJ | 0.9140 |
229 | M2K | 0.9139 |
230 | 5IQ | 0.9136 |
231 | J9T | 0.9134 |
232 | 4TU | 0.9134 |
233 | 9TZ | 0.9134 |
234 | 1P7 | 0.9133 |
235 | 12Q | 0.9132 |
236 | 6CS | 0.9130 |
237 | 344 | 0.9127 |
238 | 2JK | 0.9126 |
239 | 5WV | 0.9125 |
240 | INO | 0.9123 |
241 | B57 | 0.9122 |
242 | LT2 | 0.9121 |
243 | N5J | 0.9120 |
244 | 2FQ | 0.9120 |
245 | 4AA | 0.9120 |
246 | 5MK | 0.9120 |
247 | XX2 | 0.9119 |
248 | 7I2 | 0.9117 |
249 | 15N | 0.9117 |
250 | DHB | 0.9117 |
251 | CN0 | 0.9116 |
252 | 5Q0 | 0.9116 |
253 | C9E | 0.9116 |
254 | 5VL | 0.9116 |
255 | QSH | 0.9115 |
256 | 141 | 0.9114 |
257 | 428 | 0.9113 |
258 | NOY | 0.9111 |
259 | 93K | 0.9111 |
260 | 97T | 0.9110 |
261 | PH2 | 0.9110 |
262 | GCU | 0.9109 |
263 | FA0 | 0.9109 |
264 | 7W4 | 0.9108 |
265 | CWM | 0.9108 |
266 | KJH | 0.9106 |
267 | X09 | 0.9105 |
268 | Z5P | 0.9105 |
269 | GAB | 0.9103 |
270 | CTL | 0.9102 |
271 | 42C | 0.9102 |
272 | BZX | 0.9099 |
273 | NGT | 0.9097 |
274 | 5XC | 0.9097 |
275 | 1XM | 0.9096 |
276 | G3F | 0.9095 |
277 | 290 | 0.9092 |
278 | AW5 | 0.9091 |
279 | 0JD | 0.9091 |
280 | EVA | 0.9090 |
281 | 173 | 0.9090 |
282 | FDB | 0.9089 |
283 | DOB | 0.9089 |
284 | DEE | 0.9085 |
285 | CFP | 0.9085 |
286 | 8CM | 0.9084 |
287 | 2HQ | 0.9084 |
288 | LNR | 0.9083 |
289 | GCB | 0.9083 |
290 | EKZ | 0.9082 |
291 | IFL | 0.9081 |
292 | HNQ | 0.9081 |
293 | M0Q | 0.9081 |
294 | DX4 | 0.9081 |
295 | 2EC | 0.9080 |
296 | PJW | 0.9080 |
297 | BCU | 0.9078 |
298 | AS3 | 0.9076 |
299 | 20J | 0.9075 |
300 | DNF | 0.9074 |
301 | L22 | 0.9074 |
302 | A2F | 0.9073 |
303 | FE DB1 | 0.9073 |
304 | M5N | 0.9073 |
305 | 5CU | 0.9073 |
306 | X0V | 0.9073 |
307 | 6AP | 0.9072 |
308 | 2F6 | 0.9072 |
309 | 4YO | 0.9072 |
310 | M0W | 0.9071 |
311 | X05 | 0.9069 |
312 | 7WR | 0.9068 |
313 | BHA | 0.9067 |
314 | NBG | 0.9065 |
315 | LCN | 0.9065 |
316 | DPZ | 0.9065 |
317 | FUD | 0.9064 |
318 | SKA | 0.9063 |
319 | JB8 | 0.9063 |
320 | JR2 | 0.9062 |
321 | CWJ | 0.9062 |
322 | 54X | 0.9062 |
323 | GCS | 0.9062 |
324 | KW8 | 0.9060 |
325 | YH7 | 0.9060 |
326 | BOA | 0.9060 |
327 | ZYR | 0.9059 |
328 | 7VS | 0.9059 |
329 | 53C | 0.9058 |
330 | 9CA | 0.9056 |
331 | 3ID | 0.9056 |
332 | PDC | 0.9056 |
333 | HQT | 0.9054 |
334 | JU2 | 0.9053 |
335 | DNC | 0.9053 |
336 | X11 | 0.9052 |
337 | 4M0 | 0.9052 |
338 | BCP | 0.9052 |
339 | HH5 | 0.9051 |
340 | CWS | 0.9049 |
341 | 1U6 | 0.9049 |
342 | JA8 | 0.9047 |
343 | JDN | 0.9047 |
344 | LI6 | 0.9046 |
345 | UEG | 0.9046 |
346 | 7W1 | 0.9046 |
347 | 9R5 | 0.9045 |
348 | 1F1 | 0.9045 |
349 | KDV | 0.9043 |
350 | HIS | 0.9043 |
351 | INE | 0.9043 |
352 | D1X | 0.9042 |
353 | QUS | 0.9041 |
354 | L99 | 0.9041 |
355 | AJV | 0.9040 |
356 | 3HB | 0.9040 |
357 | 32X | 0.9039 |
358 | HH8 | 0.9036 |
359 | 15L | 0.9035 |
360 | B5D | 0.9034 |
361 | FRU | 0.9034 |
362 | NGO | 0.9033 |
363 | 6GU | 0.9031 |
364 | KJY | 0.9031 |
365 | N8Y | 0.9028 |
366 | 3DM | 0.9028 |
367 | VGD | 0.9028 |
368 | 12B | 0.9027 |
369 | N3W | 0.9027 |
370 | B2J | 0.9027 |
371 | HC4 | 0.9025 |
372 | BEA | 0.9024 |
373 | 5WU | 0.9024 |
374 | 6NI | 0.9023 |
375 | XYL | 0.9022 |
376 | RB5 | 0.9022 |
377 | 82I | 0.9021 |
378 | 51R | 0.9021 |
379 | 6DP | 0.9017 |
380 | 68A | 0.9017 |
381 | JYB | 0.9016 |
382 | 680 | 0.9015 |
383 | NTZ | 0.9014 |
384 | DBX | 0.9013 |
385 | 2ZM | 0.9013 |
386 | TGX | 0.9012 |
387 | TH7 | 0.9012 |
388 | 7B4 | 0.9012 |
389 | LSA | 0.9011 |
390 | SX1 | 0.9010 |
391 | PRF | 0.9009 |
392 | 4KL | 0.9008 |
393 | P9P | 0.9008 |
394 | AHR | 0.9007 |
395 | GT0 | 0.9002 |
396 | 3A9 | 0.9002 |
397 | 5RO | 0.9002 |
398 | NDM | 0.9001 |
399 | 3MB | 0.9001 |
400 | NID | 0.9000 |
401 | FYU | 0.8999 |
402 | PFL | 0.8998 |
403 | TFU | 0.8997 |
404 | SAL | 0.8996 |
405 | MT5 | 0.8995 |
406 | 3DO | 0.8994 |
407 | MR1 | 0.8993 |
408 | AZG | 0.8992 |
409 | IV2 | 0.8990 |
410 | 67X | 0.8990 |
411 | HHR | 0.8990 |
412 | 091 | 0.8989 |
413 | TSS | 0.8988 |
414 | IFP | 0.8988 |
415 | SOE | 0.8987 |
416 | PBA | 0.8987 |
417 | 1XN | 0.8986 |
418 | HKD | 0.8986 |
419 | BNT | 0.8986 |
420 | II6 | 0.8985 |
421 | 1AL | 0.8983 |
422 | 3AB | 0.8983 |
423 | G2F | 0.8981 |
424 | MPV | 0.8981 |
425 | 9ZE | 0.8980 |
426 | JAW | 0.8980 |
427 | SHG | 0.8979 |
428 | 4Z4 | 0.8978 |
429 | J9Q | 0.8975 |
430 | QBS | 0.8974 |
431 | SKM | 0.8974 |
432 | 2A9 | 0.8973 |
433 | 12T | 0.8972 |
434 | 4M4 | 0.8971 |
435 | D07 | 0.8969 |
436 | 94W | 0.8968 |
437 | BIK | 0.8967 |
438 | 34D | 0.8966 |
439 | QPR | 0.8966 |
440 | CFI | 0.8966 |
441 | GOX | 0.8965 |
442 | NNO | 0.8965 |
443 | RMN | 0.8965 |
444 | XIY | 0.8965 |
445 | AZ9 | 0.8964 |
446 | AKH | 0.8963 |
447 | HPA | 0.8963 |
448 | PX7 | 0.8962 |
449 | EYK | 0.8962 |
450 | MYJ | 0.8960 |
451 | 6LW | 0.8959 |
452 | LDP | 0.8958 |
453 | 5NE | 0.8958 |
454 | 5VJ | 0.8958 |
455 | 6M9 | 0.8957 |
456 | ET2 | 0.8955 |
457 | ZZZ | 0.8955 |
458 | 0TU | 0.8953 |
459 | XDE | 0.8953 |
460 | 3HM | 0.8953 |
461 | KYA | 0.8952 |
462 | 9KH | 0.8952 |
463 | 495 | 0.8951 |
464 | JXN | 0.8951 |
465 | HQJ | 0.8951 |
466 | UNC | 0.8950 |
467 | 4A3 | 0.8950 |
468 | FHB | 0.8950 |
469 | ESP | 0.8949 |
470 | BZE | 0.8949 |
471 | MQN | 0.8948 |
472 | MT0 | 0.8948 |
473 | 0FN | 0.8948 |
474 | H33 | 0.8946 |
475 | 42A | 0.8946 |
476 | B53 | 0.8946 |
477 | PHE | 0.8946 |
478 | DIU | 0.8945 |
479 | 4V2 | 0.8944 |
480 | 5NU | 0.8943 |
481 | XM5 | 0.8942 |
482 | SVD | 0.8942 |
483 | JKZ | 0.8942 |
484 | DK1 | 0.8941 |
485 | 9UL | 0.8941 |
486 | J6W | 0.8941 |
487 | LPK | 0.8941 |
488 | GM7 | 0.8941 |
489 | BHO | 0.8940 |
490 | 2BG | 0.8940 |
491 | ONR | 0.8939 |
492 | 06B | 0.8939 |
493 | G5V | 0.8939 |
494 | F31 | 0.8939 |
495 | J9N | 0.8939 |
496 | ZZ8 | 0.8938 |
497 | PQ0 | 0.8938 |
498 | GJS | 0.8938 |
499 | BPY | 0.8938 |
500 | E35 | 0.8938 |
501 | 8OZ | 0.8938 |
502 | IWT | 0.8938 |
503 | 692 | 0.8938 |
504 | GZ8 | 0.8937 |
505 | TEP | 0.8937 |
506 | M6Z | 0.8936 |
507 | 92K | 0.8935 |
508 | CLW | 0.8934 |
509 | LZM | 0.8934 |
510 | GV9 | 0.8934 |
511 | TTY | 0.8934 |
512 | FBG | 0.8933 |
513 | 4SX | 0.8933 |
514 | 5NI | 0.8932 |
515 | P84 | 0.8930 |
516 | 4ZC | 0.8930 |
517 | HLD | 0.8930 |
518 | 4XV | 0.8929 |
519 | KIA | 0.8929 |
520 | M5H | 0.8928 |
521 | GZL | 0.8927 |
522 | 0GZ | 0.8927 |
523 | QAT | 0.8927 |
524 | 4I8 | 0.8926 |
525 | 6QF | 0.8924 |
526 | NDG | 0.8924 |
527 | 61M | 0.8923 |
528 | 2CK | 0.8922 |
529 | KOJ | 0.8921 |
530 | DBH | 0.8920 |
531 | ZZT | 0.8919 |
532 | GXY | 0.8917 |
533 | BGU | 0.8916 |
534 | GTR | 0.8915 |
535 | PD2 | 0.8915 |
536 | DMJ | 0.8915 |
537 | HMU | 0.8914 |
538 | DNA | 0.8914 |
539 | 86J | 0.8913 |
540 | 6KT | 0.8913 |
541 | ISZ | 0.8912 |
542 | EXD | 0.8909 |
543 | BE2 | 0.8908 |
544 | GNL | 0.8907 |
545 | SVN | 0.8907 |
546 | 7NI | 0.8906 |
547 | 3R4 | 0.8905 |
548 | CSN | 0.8902 |
549 | 2HC | 0.8901 |
550 | 1DW | 0.8901 |
551 | 39U | 0.8900 |
552 | 49O | 0.8900 |
553 | CHB | 0.8900 |
554 | 6M4 | 0.8899 |
555 | E1T | 0.8896 |
556 | SLS | 0.8896 |
557 | 2FG | 0.8894 |
558 | 4RU | 0.8894 |
559 | 7FF | 0.8892 |
560 | ZZ3 | 0.8890 |
561 | DHQ | 0.8889 |
562 | SHA | 0.8889 |
563 | 0CU | 0.8889 |
564 | NPY | 0.8889 |
565 | XXP | 0.8888 |
566 | 329 | 0.8888 |
567 | 3HA | 0.8888 |
568 | 3TC | 0.8887 |
569 | GCO | 0.8886 |
570 | HZQ | 0.8885 |
571 | 36R | 0.8884 |
572 | EMZ | 0.8884 |
573 | VM1 | 0.8884 |
574 | 8NB | 0.8884 |
575 | DGJ | 0.8881 |
576 | OTD | 0.8881 |
577 | C2U | 0.8881 |
578 | JAE | 0.8880 |
579 | E7Z | 0.8880 |
580 | P7Y | 0.8879 |
581 | AA | 0.8877 |
582 | EDR | 0.8877 |
583 | HTP | 0.8876 |
584 | QX2 | 0.8876 |
585 | RD4 | 0.8875 |
586 | QWW | 0.8874 |
587 | 5VM | 0.8873 |
588 | XYP | 0.8871 |
589 | 7HP | 0.8871 |
590 | LYL | 0.8870 |
591 | EN1 | 0.8870 |
592 | 3M0 | 0.8870 |
593 | FHC | 0.8868 |
594 | 55D | 0.8868 |
595 | HHS | 0.8868 |
596 | APS | 0.8867 |
597 | R2P | 0.8866 |
598 | ES9 | 0.8865 |
599 | 8MO | 0.8865 |
600 | JKE | 0.8865 |
601 | HA5 | 0.8864 |
602 | 7MX | 0.8864 |
603 | PYQ | 0.8862 |
604 | 0RW | 0.8862 |
605 | ADE | 0.8862 |
606 | F60 | 0.8861 |
607 | QMS | 0.8859 |
608 | HRM | 0.8859 |
609 | 5H1 | 0.8858 |
610 | SJ5 | 0.8858 |
611 | ZVO | 0.8858 |
612 | NIZ | 0.8858 |
613 | DMD | 0.8857 |
614 | 6R8 | 0.8857 |
615 | 0LH | 0.8856 |
616 | 5NS | 0.8856 |
617 | PNZ | 0.8856 |
618 | UFV | 0.8855 |
619 | 8GK | 0.8854 |
620 | Q77 | 0.8854 |
621 | K32 | 0.8854 |
622 | E7R | 0.8853 |
623 | 0FK | 0.8853 |
624 | F4E | 0.8853 |
625 | GSY | 0.8852 |
626 | QUZ | 0.8851 |
627 | E5X | 0.8851 |
628 | 11S | 0.8850 |
629 | DHR | 0.8850 |
630 | LXC | 0.8850 |
631 | K17 | 0.8850 |
632 | 1XA | 0.8849 |
633 | NPO | 0.8849 |
634 | 9FE | 0.8847 |
635 | 5HN | 0.8847 |
636 | NCT | 0.8847 |
637 | DIE | 0.8847 |
638 | THA | 0.8846 |
639 | QAS | 0.8844 |
640 | 9LI | 0.8844 |
641 | 2K4 | 0.8843 |
642 | 3Y7 | 0.8843 |
643 | 7HQ | 0.8843 |
644 | 1IT | 0.8841 |
645 | 948 | 0.8841 |
646 | F05 | 0.8841 |
647 | MHK | 0.8840 |
648 | DHC | 0.8840 |
649 | XQG | 0.8838 |
650 | CBF | 0.8837 |
651 | MT8 | 0.8837 |
652 | 39O | 0.8835 |
653 | 2HU | 0.8835 |
654 | ADA | 0.8834 |
655 | A29 | 0.8834 |
656 | 14O | 0.8834 |
657 | 8HC | 0.8833 |
658 | M3E | 0.8833 |
659 | 2D3 | 0.8832 |
660 | AEH | 0.8832 |
661 | OVM | 0.8832 |
662 | 1WC | 0.8831 |
663 | 3XX | 0.8831 |
664 | TIY | 0.8830 |
665 | HDH | 0.8830 |
666 | 149 | 0.8830 |
667 | SWD | 0.8830 |
668 | 2O6 | 0.8830 |
669 | YQA | 0.8829 |
670 | ARP | 0.8829 |
671 | 3U4 | 0.8828 |
672 | SQ7 | 0.8827 |
673 | 7VJ | 0.8827 |
674 | EGR | 0.8827 |
675 | ASC | 0.8826 |
676 | ANF | 0.8826 |
677 | L3Q | 0.8826 |
678 | GRE | 0.8826 |
679 | F9Y | 0.8825 |
680 | OW4 | 0.8825 |
681 | 5MB | 0.8825 |
682 | DHY | 0.8825 |
683 | FK1 | 0.8824 |
684 | LKA | 0.8824 |
685 | GNM | 0.8823 |
686 | ANN | 0.8823 |
687 | IPD | 0.8822 |
688 | E7S | 0.8822 |
689 | GHM | 0.8821 |
690 | DRG | 0.8821 |
691 | M4E | 0.8819 |
692 | IF7 | 0.8819 |
693 | H4N | 0.8819 |
694 | IPB | 0.8818 |
695 | GYE | 0.8818 |
696 | QWN | 0.8818 |
697 | GCW | 0.8817 |
698 | PKU | 0.8817 |
699 | HXX | 0.8816 |
700 | PHB | 0.8816 |
701 | 9EW | 0.8815 |
702 | M1E | 0.8815 |
703 | ANC | 0.8814 |
704 | 4XR | 0.8814 |
705 | 4FH | 0.8814 |
706 | 4VS | 0.8813 |
707 | 57O | 0.8813 |
708 | GDL | 0.8811 |
709 | LTT | 0.8810 |
710 | W81 | 0.8810 |
711 | CKU | 0.8810 |
712 | SOR | 0.8810 |
713 | S60 | 0.8809 |
714 | 5MI | 0.8808 |
715 | 6AI | 0.8808 |
716 | OW7 | 0.8808 |
717 | GLA | 0.8807 |
718 | ZXD | 0.8807 |
719 | 3Z7 | 0.8807 |
720 | TYL | 0.8807 |
721 | 8G0 | 0.8806 |
722 | 23J | 0.8806 |
723 | 6RQ | 0.8805 |
724 | PXM | 0.8805 |
725 | S76 | 0.8804 |
726 | FA3 | 0.8804 |
727 | X0U | 0.8802 |
728 | KBB | 0.8802 |
729 | G6D | 0.8802 |
730 | 3QV | 0.8801 |
731 | IJZ | 0.8800 |
732 | CK2 | 0.8800 |
733 | 7VP | 0.8800 |
734 | 2A7 | 0.8799 |
735 | 8XL | 0.8797 |
736 | BMA | 0.8794 |
737 | BTE | 0.8794 |
738 | 1PT | 0.8792 |
739 | ES0 | 0.8790 |
740 | AN3 | 0.8790 |
741 | N2M | 0.8790 |
742 | F9P | 0.8788 |
743 | JFJ | 0.8785 |
744 | TAG | 0.8785 |
745 | PFB | 0.8784 |
746 | ADZ | 0.8782 |
747 | 2AK | 0.8780 |
748 | 5F5 | 0.8780 |
749 | 8NY | 0.8780 |
750 | 6XI | 0.8780 |
751 | BZ2 | 0.8780 |
752 | I6G | 0.8779 |
753 | 4XF | 0.8779 |
754 | H05 | 0.8779 |
755 | MAN | 0.8778 |
756 | IPT | 0.8777 |
757 | 2K8 | 0.8777 |
758 | GXL | 0.8777 |
759 | 46P | 0.8775 |
760 | NLA | 0.8774 |
761 | JF1 | 0.8772 |
762 | 37T | 0.8772 |
763 | 27B | 0.8772 |
764 | 8H8 | 0.8771 |
765 | QQQ | 0.8770 |
766 | BNL | 0.8770 |
767 | 1GN | 0.8769 |
768 | ESX | 0.8769 |
769 | K3Y | 0.8768 |
770 | 3FH | 0.8768 |
771 | 36M | 0.8768 |
772 | MXD | 0.8767 |
773 | 209 | 0.8767 |
774 | 25W | 0.8766 |
775 | 1Z8 | 0.8765 |
776 | SLC | 0.8765 |
777 | GIV | 0.8764 |
778 | 5WT | 0.8764 |
779 | OMD | 0.8764 |
780 | SR1 | 0.8764 |
781 | M4T | 0.8763 |
782 | 3J8 | 0.8762 |
783 | HMH | 0.8762 |
784 | 1HN | 0.8759 |
785 | MBG | 0.8758 |
786 | 2KA | 0.8758 |
787 | 6BL | 0.8757 |
788 | NVU | 0.8757 |
789 | GAF | 0.8757 |
790 | GJP | 0.8756 |
791 | HPT | 0.8755 |
792 | PA1 | 0.8755 |
793 | 4P5 | 0.8755 |
794 | PBZ | 0.8754 |
795 | LFR | 0.8753 |
796 | ALL | 0.8752 |
797 | BDF | 0.8752 |
798 | JBE | 0.8752 |
799 | NTM | 0.8751 |
800 | WUB | 0.8750 |
801 | HLR | 0.8750 |
802 | P72 | 0.8750 |
803 | 5GT | 0.8749 |
804 | PAB | 0.8749 |
805 | YSO | 0.8749 |
806 | 9RW | 0.8746 |
807 | 4AV | 0.8745 |
808 | PQK | 0.8745 |
809 | AH9 | 0.8744 |
810 | ZWZ | 0.8742 |
811 | HBD | 0.8740 |
812 | 6F0 | 0.8740 |
813 | 67N | 0.8738 |
814 | IUP | 0.8738 |
815 | PHT | 0.8738 |
816 | X8D | 0.8737 |
817 | FIX | 0.8737 |
818 | 7WV | 0.8737 |
819 | W8G | 0.8737 |
820 | MOK | 0.8734 |
821 | 2H5 | 0.8733 |
822 | 4BY | 0.8733 |
823 | ABV | 0.8732 |
824 | 3BU | 0.8732 |
825 | FBM | 0.8732 |
826 | XQ0 | 0.8731 |
827 | SFU | 0.8731 |
828 | L5V | 0.8730 |
829 | HA7 | 0.8729 |
830 | KTA | 0.8729 |
831 | EWG | 0.8727 |
832 | 10L | 0.8727 |
833 | WOO | 0.8726 |
834 | MNM | 0.8726 |
835 | RJY | 0.8726 |
836 | SMN | 0.8725 |
837 | JUG | 0.8725 |
838 | 7WA | 0.8725 |
839 | ZZ2 | 0.8724 |
840 | QXW | 0.8724 |
841 | 6M1 | 0.8724 |
842 | LZ2 | 0.8721 |
843 | M1A | 0.8720 |
844 | RNS | 0.8720 |
845 | NGA | 0.8718 |
846 | 4SV | 0.8718 |
847 | YTX | 0.8718 |
848 | APG | 0.8718 |
849 | DPT | 0.8717 |
850 | GLY PRO | 0.8716 |
851 | YIO | 0.8716 |
852 | 3TJ | 0.8714 |
853 | ALE | 0.8713 |
854 | ISE | 0.8712 |
855 | 9PY | 0.8711 |
856 | KTJ | 0.8710 |
857 | 8WZ | 0.8709 |
858 | MSR | 0.8709 |
859 | BP1 | 0.8707 |
860 | FDK | 0.8706 |
861 | E1K | 0.8705 |
862 | 3AL | 0.8703 |
863 | HHA | 0.8702 |
864 | RUY | 0.8700 |
865 | SYR | 0.8700 |
866 | IAC | 0.8700 |
867 | X6X | 0.8698 |
868 | 6MP | 0.8698 |
869 | 3HP | 0.8696 |
870 | EJZ | 0.8696 |
871 | G1O | 0.8695 |
872 | 23A | 0.8693 |
873 | SF9 | 0.8693 |
874 | 52C | 0.8693 |
875 | 1SS | 0.8691 |
876 | B4O | 0.8690 |
877 | M3H | 0.8690 |
878 | H7Y | 0.8690 |
879 | K22 | 0.8690 |
880 | 1Z6 | 0.8689 |
881 | SR4 | 0.8689 |
882 | AEF | 0.8689 |
883 | JF2 | 0.8686 |
884 | TBS | 0.8685 |
885 | DQA | 0.8685 |
886 | RAM | 0.8684 |
887 | 45L | 0.8682 |
888 | 6FZ | 0.8681 |
889 | XM0 | 0.8681 |
890 | 4AN | 0.8679 |
891 | QIC | 0.8679 |
892 | IBM | 0.8679 |
893 | 3ZB | 0.8679 |
894 | RPQ | 0.8677 |
895 | 5PX | 0.8674 |
896 | 24B | 0.8674 |
897 | EA1 | 0.8674 |
898 | KLW | 0.8673 |
899 | O2A | 0.8672 |
900 | 6FB | 0.8671 |
901 | 9HX | 0.8671 |
902 | CIT | 0.8670 |
903 | 64C | 0.8670 |
904 | EQT | 0.8670 |
905 | 39A | 0.8670 |
906 | WS7 | 0.8670 |
907 | OVP | 0.8669 |
908 | 293 | 0.8669 |
909 | 463 | 0.8668 |
910 | D3G | 0.8668 |
911 | 3F0 | 0.8668 |
912 | 2CZ | 0.8666 |
913 | SYA | 0.8666 |
914 | 795 | 0.8664 |
915 | 363 | 0.8663 |
916 | FA1 | 0.8661 |
917 | 0BP | 0.8660 |
918 | JRB | 0.8659 |
919 | AMR | 0.8658 |
920 | 9DA | 0.8657 |
921 | NSP | 0.8656 |
922 | AIN | 0.8655 |
923 | G1P | 0.8653 |
924 | 1X8 | 0.8653 |
925 | PZI | 0.8653 |
926 | MXX | 0.8651 |
927 | XUL | 0.8650 |
928 | FLC | 0.8650 |
929 | 8G6 | 0.8650 |
930 | K34 | 0.8649 |
931 | 6HP | 0.8648 |
932 | OTR | 0.8648 |
933 | GLT | 0.8647 |
934 | 259 | 0.8647 |
935 | JBK | 0.8647 |
936 | LL1 | 0.8647 |
937 | 2ED | 0.8644 |
938 | XFE | 0.8643 |
939 | H6B | 0.8643 |
940 | AY4 | 0.8642 |
941 | KFH | 0.8640 |
942 | SRT | 0.8638 |
943 | ES4 | 0.8636 |
944 | 2GQ | 0.8633 |
945 | PH3 | 0.8631 |
946 | 549 | 0.8631 |
947 | Q02 | 0.8630 |
948 | 60Q | 0.8630 |
949 | 4MA | 0.8630 |
950 | XXR | 0.8627 |
951 | INS | 0.8626 |
952 | YPN | 0.8624 |
953 | TRP | 0.8622 |
954 | PHH | 0.8621 |
955 | 3VX | 0.8621 |
956 | 717 | 0.8621 |
957 | HX4 | 0.8621 |
958 | BA5 | 0.8620 |
959 | AX7 | 0.8620 |
960 | ZME | 0.8619 |
961 | 1L5 | 0.8618 |
962 | XXG | 0.8616 |
963 | OKM | 0.8615 |
964 | FSW | 0.8615 |
965 | GLU | 0.8615 |
966 | F5B | 0.8614 |
967 | JLZ | 0.8614 |
968 | 4BL | 0.8610 |
969 | 9UG | 0.8609 |
970 | 2D0 | 0.8609 |
971 | 826 | 0.8609 |
972 | LT8 | 0.8605 |
973 | MZB | 0.8604 |
974 | 4XH | 0.8603 |
975 | MB1 | 0.8602 |
976 | 6TZ | 0.8601 |
977 | REL | 0.8601 |
978 | MUR | 0.8599 |
979 | 1WD | 0.8599 |
980 | SF6 | 0.8598 |
981 | FP1 | 0.8594 |
982 | LIP | 0.8590 |
983 | M45 | 0.8590 |
984 | 174 | 0.8590 |
985 | ENO | 0.8589 |
986 | XSP | 0.8586 |
987 | 2HO | 0.8583 |
988 | 95Z | 0.8582 |
989 | PPT | 0.8580 |
990 | 9TW | 0.8577 |
991 | F6P | 0.8576 |
992 | ETV | 0.8573 |
993 | TVP | 0.8571 |
994 | K44 | 0.8571 |
995 | DE5 | 0.8569 |
996 | JXW | 0.8568 |
997 | NCD | 0.8566 |
998 | 5B1 | 0.8564 |
999 | KIF | 0.8564 |
1000 | 1U1 | 0.8564 |
1001 | HJP | 0.8564 |
1002 | 1Y6 | 0.8563 |
1003 | 2PG | 0.8561 |
1004 | MS0 | 0.8560 |
1005 | 1WG | 0.8559 |
1006 | FBB | 0.8556 |
1007 | N0Z | 0.8555 |
1008 | MNP | 0.8555 |
1009 | E3D | 0.8554 |
1010 | JXZ | 0.8554 |
1011 | 270 | 0.8553 |
1012 | TCR | 0.8541 |
1013 | FUL | 0.8540 |
1014 | I1N | 0.8538 |
1015 | I4D | 0.8536 |
1016 | SW7 | 0.8533 |
1017 | AP4 | 0.8530 |
1018 | GCV | 0.8529 |
1019 | BCF | 0.8528 |
1020 | K2T | 0.8527 |
1021 | IBF | 0.8520 |
1022 | 78Y | 0.8512 |
1023 | KGK | 0.8510 |
This union binding pocket(no: 1) in the query (biounit: 2drc.bio1) has 125 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2drc.bio1) has 126 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |