- 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+].... |
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 |