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- 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 1 families. | |||||
1 | 6QAD | ic50 = 14 nM | HUZ | C25 H40 N4 O | CCCCN[C@@H.... |
2 | 4B0O | Ki = 7.3 uM | 15F | C15 H14 Cl3 N2 O | [H]/N=C(/C.... |
3 | 6XTA | ic50 = 2.8 nM | O0Z | C30 H42 N4 O | CCCCN[C@@H.... |
4 | 4B0P | Ki = 44 uM | MF5 | C14 H10 F5 N2 O | C[n+]1cccc.... |
5 | 6SAM | ic50 = 0.0645 uM | L3H | C21 H25 N2 O2 | c1ccc(cc1).... |
6 | 6QAB | ic50 = 6.2 nM | HUQ | C26 H42 N3 O | CCCC[N+](C.... |
7 | 5NN0 | Kd = 11.1 pM | 92H | C30 H37 N3 O | CN(C)CCN(C.... |
8 | 6QAE | ic50 = 3 nM | HUK | C26 H45 N3 | CCCC[NH+](.... |
9 | 6I0B | ic50 = 9.1 nM | 9A5 | C30 H36 Cl N5 O | c1ccc2c(c1.... |
10 | 6EQQ | - | H19 | C18 H21 Cl N3 | c1cc2c(cc1.... |
11 | 6R6W | Ki = 18 nM | JUB | C35 H42 N7 O5 S | c1ccc(cc1).... |
12 | 6EQP | Kd = 1.1 uM | BUW | C19 H24 N2 S | CCN(CC)[C@.... |
13 | 5DYW | ic50 = 4.9 nM | 5HF | C26 H32 N2 O3 S | COCCN(C[C@.... |
14 | 1P0P | - | BCH | C9 H20 N O S | CCCC(=O)SC.... |
15 | 6R6V | Ki = 88 nM | JU5 | C38 H45 N5 O3 S | CCN(CC)c1c.... |
16 | 1P0M | - | CHT | C5 H14 N O | C[N+](C)(C.... |
17 | 6EP4 | Ki = 4.5 uM | DME | C16 H38 N2 | C[N+](C)(C.... |
18 | 4AQD | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
19 | 4BDS | Ki = 25 nM | THA | C13 H14 N2 | c1ccc2c(c1.... |
20 | 6QAA | ic50 = 22 nM | HUN | C24 H38 N3 O | CCCC[NH2+].... |
21 | 1Q84 | Ki = 8900 fM | TZ4 | C42 H45 N8 | c1ccc(cc1).... |
22 | 4ARB | Kd = 1.3 uM | C57 | C17 H26 N4 O4 | CCN1CCC[C@.... |
23 | 4ARA | Kd = 0.9 uM | C56 | C17 H26 N4 O4 | CCN1CCC[C@.... |
24 | 4B80 | ic50 = 40 uM | A36 | C13 H21 F N2 O2 S | CCN(CC)CCN.... |
25 | 1N5R | Ki = 2.2 uM | PRM | C27 H34 N4 | CC[N+](C)(.... |
26 | 5EHZ | Ki = 2.3 pM | 5NZ | C41 H43 N8 | c1ccc(cc1).... |
27 | 2HA6 | - | SCK | C14 H30 N2 O4 | C[N+](C)(C.... |
28 | 2JF0 | - | HBP | C19 H26 N4 O2 | c1cc[n+](c.... |
29 | 4B82 | ic50 = 41 uM | B3Z | C12 H19 F N2 O2 S | CCN(CC)CCN.... |
30 | 2GYU | - | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
31 | 4B7Z | ic50 = 49 uM | Q4Q | C14 H24 N2 O2 S | CCN(CC)CCN.... |
32 | 2WHQ | - | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
33 | 1J07 | Ki = 0.021 uM | DCU | C32 H44 N4 | C[N+](C)(C.... |
34 | 1N5M | - | GMN | C30 H60 N3 O3 | CC[N+](CC).... |
35 | 3ZLV | - | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
36 | 5FOQ | - | GC8 | C20 H22 Cl2 N2 O2 | c1cc(ccc1C.... |
37 | 2GYW | - | OBI | C14 H16 N4 O3 | c1c[n+](cc.... |
38 | 5FUM | - | SOF | C25 H33 N3 O2 | CCN1CCN(CC.... |
39 | 2HA0 | Kd = 0.037 mM | CHH | C8 H18 N O | CC(=O)CCC[.... |
40 | 5EIE | Ki = 23000 pM | TZ2 | C15 H17 N5 | c1ccc2c(c1.... |
41 | 4BTL | ic50 = 2.5 uM | 5GZ | C18 H22 Cl N3 O5 S | CCN(CC)CCN.... |
42 | 4B85 | ic50 = 88 uM | B3W | C12 H19 Cl N2 O2 S | CCN(CC)CCN.... |
43 | 5FPP | Kd = 100 uM | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
44 | 2HA5 | - | AT3 | C7 H16 N O S | CC(=O)SCC[.... |
45 | 2GYV | - | HBP | C19 H26 N4 O2 | c1cc[n+](c.... |
46 | 5OV9 | ic50 = 2.2 uM | CVI | C25 H30 N3 | CN(C)c1ccc.... |
47 | 2HA2 | Kd = 0.022 mM | SCK | C14 H30 N2 O4 | C[N+](C)(C.... |
48 | 4B83 | - | B3V | C13 H22 N2 O3 S | CCN(CC)CCN.... |
49 | 4A23 | ic50 = 1.3 uM | C56 | C17 H26 N4 O4 | CCN1CCC[C@.... |
50 | 2HA3 | Kd = 0.93 mM | CHT | C5 H14 N O | C[N+](C)(C.... |
51 | 2WU4 | - | HBP | C19 H26 N4 O2 | c1cc[n+](c.... |
52 | 1ODC | - | A8B | C30 H36 N4 | c1ccc2c(c1.... |
53 | 1UT6 | - | A8N | C21 H33 N3 | c1ccc2c(c1.... |
54 | 6H14 | - | FW8 | C35 H35 N9 O2 | c1ccc2c(c1.... |
55 | 1EVE | ic50 = 5.7 nM | E20 | C24 H29 N O3 | COc1cc2c(c.... |
56 | 1H23 | Ki = 4.5 nM | E12 | C30 H46 N4 O2 | C1C[C@@H](.... |
57 | 1QTI | - | GNT | C17 H21 N O3 | C[N@@]1CC[.... |
58 | 2C4H | - | AT3 | C7 H16 N O S | CC(=O)SCC[.... |
59 | 2CEK | - | N8T | C34 H41 N3 S | c1ccc2c(c1.... |
60 | 2CMF | - | F11 | C31 H36 N4 | c1ccc2c(c1.... |
61 | 6EZG | - | C6K | C24 H27 Cl N2 O2 | COc1c2cc[n.... |
62 | 2V97 | Ki ~ 20 nM | CFQ | C13 H19 As F3 N O3 | C[As+](C)(.... |
63 | 1VOT | Ki = 250 nM | HUP | C15 H18 N2 O | C/C=C/1[C@.... |
64 | 1GPK | Ki = 4.3 uM | HUP | C15 H18 N2 O | C/C=C/1[C@.... |
65 | 6H12 | - | FJK | C37 H41 N9 O3 | c1cc2c(c(c.... |
66 | 2WG1 | - | FP1 | C7 H10 N2 O | CN1C=CC=C/.... |
67 | 4TVK | - | TJH | C25 H22 Cl N3 O3 | c1cc2c(c(c.... |
68 | 2VJB | - | CCD | C8 H20 N O | C[C@H](CCC.... |
69 | 3I6Z | - | G6X | C29 H34 N2 O6 S | COc1ccc2c3.... |
70 | 2ACK | - | EDR | C10 H16 N O | CC[N+](C)(.... |
71 | 2XI4 | - | AFT | C17 H12 O6 | COc1cc2c(c.... |
72 | 5E4T | Ki = 40 nM | MBT | C16 H18 N3 S | CN(C)c1ccc.... |
73 | 2C58 | - | ETM | C5 H14 N S | C[N+](C)(C.... |
74 | 2VJC | - | CHH | C8 H18 N O | CC(=O)CCC[.... |
75 | 6G1W | - | E0Z | C27 H25 Cl N6 O3 | COc1cc(ccc.... |
76 | 5NAP | Ki = 11.12 nM | DZ7 | C24 H27 N O3 | COc1cc2c(c.... |
77 | 1H22 | Ki = 0.8 nM | E10 | C28 H42 N4 O2 | C1C[C@@H](.... |
78 | 5BWC | Ki = 0.061 uM | HBP | C19 H26 N4 O2 | c1cc[n+](c.... |
79 | 1GQR | - | SAF | C10 H15 N O | C[C@@H](c1.... |
80 | 1DX6 | ic50 = 652 nM | GNT | C17 H21 N O3 | C[N@@]1CC[.... |
81 | 2VJD | - | CCD | C8 H20 N O | C[C@H](CCC.... |
82 | 2V96 | Ki = 29 uM | CFQ | C13 H19 As F3 N O3 | C[As+](C)(.... |
83 | 5NAU | Ki = 29.86 nM | DZ0 | C23 H25 N O2 | COc1ccc2c(.... |
84 | 2VJA | - | CCD | C8 H20 N O | C[C@H](CCC.... |
85 | 1GPN | Ki = 0.334 uM | HUB | C16 H20 N2 O | CC1=C[C@H].... |
86 | 6G1U | - | E1K | C14 H16 Cl N2 | C[n+]1c2cc.... |
87 | 1JJB | - | PE7 | C14 H30 O7 S | C(COCCOCCO.... |
88 | 6FQN | - | E2W | C23 H27 Cl N4 O2 | c1cc2c(cc1.... |
89 | 1E66 | Ki = 0.13 nM | HUX | C18 H19 Cl N2 | CCC1=C[C@@.... |
90 | 1ZGC | ic50 = 38.8 nM | A2E | C32 H44 N4 O | c1ccc2c(c1.... |
91 | 3I6M | - | G3X | C24 H34 N2 O3 | COc1ccc2c3.... |
92 | 6FLD | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
93 | 6G1V | - | E1N | C19 H22 Cl N2 | CCC1=C[C@@.... |
94 | 1ZGB | ic50 = 8.8 nM | A1E | C32 H44 N4 O | c1ccc2c(c1.... |
95 | 1W4L | ic50 = 4 nM | GL8 | C32 H37 N2 O5 | COc1ccc2c3.... |
96 | 2C5G | - | ETM | C5 H14 N S | C[N+](C)(C.... |
97 | 3ZV7 | - | NHG | C11 H14 N2 O | C[C@@]12CC.... |
98 | 2CKM | Kd = 77 fM | AA7 | C33 H40 N4 | c1ccc2c(c1.... |
99 | 1W76 | ic50 = 702 nM | GNT | C17 H21 N O3 | C[N@@]1CC[.... |
100 | 1W6R | ic50 = 702 nM | GNT | C17 H21 N O3 | C[N@@]1CC[.... |
101 | 4EY5 | - | HUP | C15 H18 N2 O | C/C=C/1[C@.... |
102 | 6O4X | - | AA | C13 H11 N2 | c1ccc2c(c1.... |
103 | 4EY7 | - | E20 | C24 H29 N O3 | COc1cc2c(c.... |
104 | 4M0E | Ki = 0.7 uM | 1YL | C18 H14 O3 | Cc1cccc2c1.... |
105 | 6O66 | - | LND | C13 H16 N5 O2 | c1c[n+](cc.... |
106 | 6O50 | - | EBW | C27 H38 N2 O | C[N+](C)(C.... |
107 | 5HF9 | - | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
108 | 6U34 | Ki = 157 uM | PQV | C10 H19 N3 O2 | C1CCCN(CC1.... |
109 | 5HFA | - | FP1 | C7 H10 N2 O | CN1C=CC=C/.... |
110 | 6O5V | - | LND | C13 H16 N5 O2 | c1c[n+](cc.... |
111 | 4EY6 | - | GNT | C17 H21 N O3 | C[N@@]1CC[.... |
112 | 6CQY | - | VX | C3 H9 O3 P | CCO[P@](=O.... |
113 | 6NEA | - | HLO | C15 H17 N5 O4 | c1c[n+](cc.... |
114 | 4M0F | Ki = 1.7 nM | 1YK | C29 H34 O9 | C[C@@]12CC.... |
115 | 6CQW | Kd = 0.000000064 M | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
116 | 6O4W | - | E20 | C24 H29 N O3 | COc1cc2c(c.... |
117 | 6CQU | - | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
118 | 6U37 | - | PQV | C10 H19 N3 O2 | C1CCCN(CC1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 1 families. | |||||
1 | 6QAD | ic50 = 14 nM | HUZ | C25 H40 N4 O | CCCCN[C@@H.... |
2 | 4B0O | Ki = 7.3 uM | 15F | C15 H14 Cl3 N2 O | [H]/N=C(/C.... |
3 | 6XTA | ic50 = 2.8 nM | O0Z | C30 H42 N4 O | CCCCN[C@@H.... |
4 | 4B0P | Ki = 44 uM | MF5 | C14 H10 F5 N2 O | C[n+]1cccc.... |
5 | 6SAM | ic50 = 0.0645 uM | L3H | C21 H25 N2 O2 | c1ccc(cc1).... |
6 | 6QAB | ic50 = 6.2 nM | HUQ | C26 H42 N3 O | CCCC[N+](C.... |
7 | 5NN0 | Kd = 11.1 pM | 92H | C30 H37 N3 O | CN(C)CCN(C.... |
8 | 6QAE | ic50 = 3 nM | HUK | C26 H45 N3 | CCCC[NH+](.... |
9 | 6I0B | ic50 = 9.1 nM | 9A5 | C30 H36 Cl N5 O | c1ccc2c(c1.... |
10 | 6EQQ | - | H19 | C18 H21 Cl N3 | c1cc2c(cc1.... |
11 | 6R6W | Ki = 18 nM | JUB | C35 H42 N7 O5 S | c1ccc(cc1).... |
12 | 6EQP | Kd = 1.1 uM | BUW | C19 H24 N2 S | CCN(CC)[C@.... |
13 | 5DYW | ic50 = 4.9 nM | 5HF | C26 H32 N2 O3 S | COCCN(C[C@.... |
14 | 1P0P | - | BCH | C9 H20 N O S | CCCC(=O)SC.... |
15 | 6R6V | Ki = 88 nM | JU5 | C38 H45 N5 O3 S | CCN(CC)c1c.... |
16 | 1P0M | - | CHT | C5 H14 N O | C[N+](C)(C.... |
17 | 6EP4 | Ki = 4.5 uM | DME | C16 H38 N2 | C[N+](C)(C.... |
18 | 4AQD | - | GLY | C2 H5 N O2 | C(C(=O)O)N |
19 | 4BDS | Ki = 25 nM | THA | C13 H14 N2 | c1ccc2c(c1.... |
20 | 6QAA | ic50 = 22 nM | HUN | C24 H38 N3 O | CCCC[NH2+].... |
21 | 5EHQ | Ki = 33 pM | 5O2 | C41 H43 N8 | c1ccc(cc1).... |
22 | 1Q84 | Ki = 8900 fM | TZ4 | C42 H45 N8 | c1ccc(cc1).... |
23 | 4ARB | Kd = 1.3 uM | C57 | C17 H26 N4 O4 | CCN1CCC[C@.... |
24 | 4ARA | Kd = 0.9 uM | C56 | C17 H26 N4 O4 | CCN1CCC[C@.... |
25 | 4B80 | ic50 = 40 uM | A36 | C13 H21 F N2 O2 S | CCN(CC)CCN.... |
26 | 1N5R | Ki = 2.2 uM | PRM | C27 H34 N4 | CC[N+](C)(.... |
27 | 5EHZ | Ki = 2.3 pM | 5NZ | C41 H43 N8 | c1ccc(cc1).... |
28 | 2HA6 | - | SCK | C14 H30 N2 O4 | C[N+](C)(C.... |
29 | 2JF0 | - | HBP | C19 H26 N4 O2 | c1cc[n+](c.... |
30 | 4B82 | ic50 = 41 uM | B3Z | C12 H19 F N2 O2 S | CCN(CC)CCN.... |
31 | 2GYU | - | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
32 | 4B7Z | ic50 = 49 uM | Q4Q | C14 H24 N2 O2 S | CCN(CC)CCN.... |
33 | 2WHQ | - | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
34 | 1J07 | Ki = 0.021 uM | DCU | C32 H44 N4 | C[N+](C)(C.... |
35 | 1N5M | - | GMN | C30 H60 N3 O3 | CC[N+](CC).... |
36 | 3ZLV | - | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
37 | 5FOQ | - | GC8 | C20 H22 Cl2 N2 O2 | c1cc(ccc1C.... |
38 | 2GYW | - | OBI | C14 H16 N4 O3 | c1c[n+](cc.... |
39 | 5FUM | - | SOF | C25 H33 N3 O2 | CCN1CCN(CC.... |
40 | 2HA0 | Kd = 0.037 mM | CHH | C8 H18 N O | CC(=O)CCC[.... |
41 | 5EIE | Ki = 23000 pM | TZ2 | C15 H17 N5 | c1ccc2c(c1.... |
42 | 4BTL | ic50 = 2.5 uM | 5GZ | C18 H22 Cl N3 O5 S | CCN(CC)CCN.... |
43 | 4B85 | ic50 = 88 uM | B3W | C12 H19 Cl N2 O2 S | CCN(CC)CCN.... |
44 | 5FPP | Kd = 100 uM | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
45 | 2HA5 | - | AT3 | C7 H16 N O S | CC(=O)SCC[.... |
46 | 2GYV | - | HBP | C19 H26 N4 O2 | c1cc[n+](c.... |
47 | 5OV9 | ic50 = 2.2 uM | CVI | C25 H30 N3 | CN(C)c1ccc.... |
48 | 2HA2 | Kd = 0.022 mM | SCK | C14 H30 N2 O4 | C[N+](C)(C.... |
49 | 4B83 | - | B3V | C13 H22 N2 O3 S | CCN(CC)CCN.... |
50 | 4A23 | ic50 = 1.3 uM | C56 | C17 H26 N4 O4 | CCN1CCC[C@.... |
51 | 2HA3 | Kd = 0.93 mM | CHT | C5 H14 N O | C[N+](C)(C.... |
52 | 2WU4 | - | HBP | C19 H26 N4 O2 | c1cc[n+](c.... |
53 | 1ODC | - | A8B | C30 H36 N4 | c1ccc2c(c1.... |
54 | 1UT6 | - | A8N | C21 H33 N3 | c1ccc2c(c1.... |
55 | 6H14 | - | FW8 | C35 H35 N9 O2 | c1ccc2c(c1.... |
56 | 1EVE | ic50 = 5.7 nM | E20 | C24 H29 N O3 | COc1cc2c(c.... |
57 | 1H23 | Ki = 4.5 nM | E12 | C30 H46 N4 O2 | C1C[C@@H](.... |
58 | 1QTI | - | GNT | C17 H21 N O3 | C[N@@]1CC[.... |
59 | 2C4H | - | AT3 | C7 H16 N O S | CC(=O)SCC[.... |
60 | 2CEK | - | N8T | C34 H41 N3 S | c1ccc2c(c1.... |
61 | 2CMF | - | F11 | C31 H36 N4 | c1ccc2c(c1.... |
62 | 6EZG | - | C6K | C24 H27 Cl N2 O2 | COc1c2cc[n.... |
63 | 2V97 | Ki ~ 20 nM | CFQ | C13 H19 As F3 N O3 | C[As+](C)(.... |
64 | 1VOT | Ki = 250 nM | HUP | C15 H18 N2 O | C/C=C/1[C@.... |
65 | 1GPK | Ki = 4.3 uM | HUP | C15 H18 N2 O | C/C=C/1[C@.... |
66 | 6H12 | - | FJK | C37 H41 N9 O3 | c1cc2c(c(c.... |
67 | 2WG1 | - | FP1 | C7 H10 N2 O | CN1C=CC=C/.... |
68 | 4TVK | - | TJH | C25 H22 Cl N3 O3 | c1cc2c(c(c.... |
69 | 2VJB | - | CCD | C8 H20 N O | C[C@H](CCC.... |
70 | 3I6Z | - | G6X | C29 H34 N2 O6 S | COc1ccc2c3.... |
71 | 2ACK | - | EDR | C10 H16 N O | CC[N+](C)(.... |
72 | 2XI4 | - | AFT | C17 H12 O6 | COc1cc2c(c.... |
73 | 5E4T | Ki = 40 nM | MBT | C16 H18 N3 S | CN(C)c1ccc.... |
74 | 2C58 | - | ETM | C5 H14 N S | C[N+](C)(C.... |
75 | 2VJC | - | CHH | C8 H18 N O | CC(=O)CCC[.... |
76 | 6G1W | - | E0Z | C27 H25 Cl N6 O3 | COc1cc(ccc.... |
77 | 5NAP | Ki = 11.12 nM | DZ7 | C24 H27 N O3 | COc1cc2c(c.... |
78 | 1H22 | Ki = 0.8 nM | E10 | C28 H42 N4 O2 | C1C[C@@H](.... |
79 | 5BWC | Ki = 0.061 uM | HBP | C19 H26 N4 O2 | c1cc[n+](c.... |
80 | 1GQR | - | SAF | C10 H15 N O | C[C@@H](c1.... |
81 | 1DX6 | ic50 = 652 nM | GNT | C17 H21 N O3 | C[N@@]1CC[.... |
82 | 2VJD | - | CCD | C8 H20 N O | C[C@H](CCC.... |
83 | 2V96 | Ki = 29 uM | CFQ | C13 H19 As F3 N O3 | C[As+](C)(.... |
84 | 5NAU | Ki = 29.86 nM | DZ0 | C23 H25 N O2 | COc1ccc2c(.... |
85 | 2VJA | - | CCD | C8 H20 N O | C[C@H](CCC.... |
86 | 1GPN | Ki = 0.334 uM | HUB | C16 H20 N2 O | CC1=C[C@H].... |
87 | 6G1U | - | E1K | C14 H16 Cl N2 | C[n+]1c2cc.... |
88 | 1JJB | - | PE7 | C14 H30 O7 S | C(COCCOCCO.... |
89 | 6FQN | - | E2W | C23 H27 Cl N4 O2 | c1cc2c(cc1.... |
90 | 1E66 | Ki = 0.13 nM | HUX | C18 H19 Cl N2 | CCC1=C[C@@.... |
91 | 1ZGC | ic50 = 38.8 nM | A2E | C32 H44 N4 O | c1ccc2c(c1.... |
92 | 3I6M | - | G3X | C24 H34 N2 O3 | COc1ccc2c3.... |
93 | 6FLD | - | NAG | C8 H15 N O6 | CC(=O)N[C@.... |
94 | 6G1V | - | E1N | C19 H22 Cl N2 | CCC1=C[C@@.... |
95 | 1ZGB | ic50 = 8.8 nM | A1E | C32 H44 N4 O | c1ccc2c(c1.... |
96 | 1W4L | ic50 = 4 nM | GL8 | C32 H37 N2 O5 | COc1ccc2c3.... |
97 | 2C5G | - | ETM | C5 H14 N S | C[N+](C)(C.... |
98 | 3ZV7 | - | NHG | C11 H14 N2 O | C[C@@]12CC.... |
99 | 2CKM | Kd = 77 fM | AA7 | C33 H40 N4 | c1ccc2c(c1.... |
100 | 1W76 | ic50 = 702 nM | GNT | C17 H21 N O3 | C[N@@]1CC[.... |
101 | 1W6R | ic50 = 702 nM | GNT | C17 H21 N O3 | C[N@@]1CC[.... |
102 | 1MX1 | - | THA | C13 H14 N2 | c1ccc2c(c1.... |
103 | 2H7C | - | SIA | C11 H19 N O9 | CC(=O)N[C@.... |
104 | 1K4Y | - | 4PN | C10 H20 N2 | C1CCN(CC1).... |
105 | 4EY5 | - | HUP | C15 H18 N2 O | C/C=C/1[C@.... |
106 | 6O4X | - | AA | C13 H11 N2 | c1ccc2c(c1.... |
107 | 4EY7 | - | E20 | C24 H29 N O3 | COc1cc2c(c.... |
108 | 4M0E | Ki = 0.7 uM | 1YL | C18 H14 O3 | Cc1cccc2c1.... |
109 | 6O66 | - | LND | C13 H16 N5 O2 | c1c[n+](cc.... |
110 | 6O50 | - | EBW | C27 H38 N2 O | C[N+](C)(C.... |
111 | 5HF9 | - | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
112 | 6U34 | Ki = 157 uM | PQV | C10 H19 N3 O2 | C1CCCN(CC1.... |
113 | 5HFA | - | FP1 | C7 H10 N2 O | CN1C=CC=C/.... |
114 | 6O5V | - | LND | C13 H16 N5 O2 | c1c[n+](cc.... |
115 | 4EY6 | - | GNT | C17 H21 N O3 | C[N@@]1CC[.... |
116 | 6CQY | - | VX | C3 H9 O3 P | CCO[P@](=O.... |
117 | 6NEA | - | HLO | C15 H17 N5 O4 | c1c[n+](cc.... |
118 | 4M0F | Ki = 1.7 nM | 1YK | C29 H34 O9 | C[C@@]12CC.... |
119 | 6CQW | Kd = 0.000000064 M | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
120 | 6O4W | - | E20 | C24 H29 N O3 | COc1cc2c(c.... |
121 | 6CQU | - | HI6 | C14 H16 N4 O3 | c1cc[n+](c.... |
122 | 6U37 | - | PQV | C10 H19 N3 O2 | C1CCCN(CC1.... |
123 | 6ARX | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
124 | 6ARY | - | FLC | C6 H5 O7 | C(C(=O)[O-.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | EDR | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | XCZ | 0.9717 |
2 | A09 | 0.9677 |
3 | 51R | 0.9677 |
4 | FBW | 0.9637 |
5 | 069 | 0.9594 |
6 | EKZ | 0.9557 |
7 | J9T | 0.9541 |
8 | PMB | 0.9497 |
9 | 7MU | 0.9495 |
10 | DBX | 0.9492 |
11 | K5W | 0.9492 |
12 | X0V | 0.9475 |
13 | LNR | 0.9467 |
14 | EYK | 0.9463 |
15 | 45L | 0.9460 |
16 | A13 | 0.9452 |
17 | KBB | 0.9447 |
18 | FB2 | 0.9433 |
19 | B09 | 0.9402 |
20 | FBV | 0.9399 |
21 | 3FH | 0.9397 |
22 | SVD | 0.9392 |
23 | FB1 | 0.9387 |
24 | MXN | 0.9387 |
25 | ISZ | 0.9370 |
26 | A29 | 0.9367 |
27 | APG | 0.9367 |
28 | FBU | 0.9363 |
29 | MJ2 | 0.9355 |
30 | GJZ | 0.9355 |
31 | 4FH | 0.9354 |
32 | QUS | 0.9354 |
33 | FEH | 0.9348 |
34 | CFI | 0.9347 |
35 | JFJ | 0.9346 |
36 | 4SX | 0.9342 |
37 | IFP | 0.9339 |
38 | 4CS | 0.9337 |
39 | SAF | 0.9325 |
40 | NIZ | 0.9315 |
41 | NMJ | 0.9314 |
42 | 1DJ | 0.9307 |
43 | SMN | 0.9306 |
44 | PEP | 0.9305 |
45 | 2PG | 0.9300 |
46 | FBM | 0.9298 |
47 | QMP | 0.9297 |
48 | BHO | 0.9295 |
49 | I1E | 0.9291 |
50 | TPA | 0.9291 |
51 | DA4 | 0.9290 |
52 | 3NT | 0.9286 |
53 | 2AL | 0.9282 |
54 | BCU | 0.9282 |
55 | 173 | 0.9280 |
56 | 6OT | 0.9276 |
57 | 3HB | 0.9271 |
58 | MWP | 0.9271 |
59 | 3AB | 0.9267 |
60 | GAB | 0.9266 |
61 | HQJ | 0.9259 |
62 | SYG | 0.9251 |
63 | F9P | 0.9250 |
64 | OVV | 0.9249 |
65 | 13P | 0.9244 |
66 | 23J | 0.9233 |
67 | 1DV | 0.9232 |
68 | B3U | 0.9228 |
69 | MNN | 0.9227 |
70 | NHG | 0.9223 |
71 | 6M4 | 0.9220 |
72 | L5V | 0.9214 |
73 | RJY | 0.9211 |
74 | ASC | 0.9199 |
75 | HA5 | 0.9198 |
76 | SHA | 0.9197 |
77 | KUF | 0.9196 |
78 | UFV | 0.9194 |
79 | KJM | 0.9191 |
80 | 53C | 0.9185 |
81 | 0OC | 0.9182 |
82 | LDP | 0.9182 |
83 | PAC | 0.9181 |
84 | RMN | 0.9181 |
85 | SRO | 0.9179 |
86 | ALE | 0.9178 |
87 | XDE | 0.9178 |
88 | PZI | 0.9178 |
89 | FA1 | 0.9177 |
90 | SAN | 0.9174 |
91 | GRO | 0.9172 |
92 | E35 | 0.9167 |
93 | R2P | 0.9165 |
94 | DHB | 0.9164 |
95 | BRT | 0.9157 |
96 | 3OC | 0.9154 |
97 | 9RH | 0.9154 |
98 | TSU | 0.9153 |
99 | 258 | 0.9152 |
100 | PHE | 0.9148 |
101 | 263 | 0.9147 |
102 | XM0 | 0.9142 |
103 | INO | 0.9141 |
104 | SD4 | 0.9140 |
105 | NNO | 0.9139 |
106 | DHY | 0.9139 |
107 | L99 | 0.9139 |
108 | K7M | 0.9136 |
109 | HJH | 0.9136 |
110 | 3HP | 0.9136 |
111 | 3BZ | 0.9136 |
112 | WCE | 0.9135 |
113 | DOR | 0.9134 |
114 | GP9 | 0.9134 |
115 | 4NC | 0.9123 |
116 | 8GC | 0.9121 |
117 | VXX | 0.9119 |
118 | 3SL | 0.9116 |
119 | KTA | 0.9115 |
120 | R20 | 0.9113 |
121 | AAS | 0.9112 |
122 | FK8 | 0.9112 |
123 | 1P7 | 0.9112 |
124 | 92K | 0.9111 |
125 | BNF | 0.9111 |
126 | DHK | 0.9108 |
127 | 268 | 0.9108 |
128 | QY9 | 0.9107 |
129 | OMD | 0.9107 |
130 | B85 | 0.9106 |
131 | 8OZ | 0.9103 |
132 | 3AL | 0.9102 |
133 | KDG | 0.9097 |
134 | FCR | 0.9093 |
135 | 9RW | 0.9093 |
136 | OTR | 0.9091 |
137 | ORO | 0.9091 |
138 | LYL | 0.9084 |
139 | 8K2 | 0.9083 |
140 | 93K | 0.9082 |
141 | P9P | 0.9081 |
142 | HPS | 0.9081 |
143 | 4ME | 0.9079 |
144 | HIC | 0.9078 |
145 | P80 | 0.9078 |
146 | 52C | 0.9073 |
147 | 0JD | 0.9072 |
148 | RM1 | 0.9069 |
149 | FBS | 0.9067 |
150 | FBT | 0.9067 |
151 | HDH | 0.9065 |
152 | HIS | 0.9064 |
153 | RNS | 0.9064 |
154 | NYL | 0.9063 |
155 | RHU | 0.9063 |
156 | M3H | 0.9060 |
157 | ZZZ | 0.9060 |
158 | H4E | 0.9060 |
159 | MYJ | 0.9059 |
160 | SS2 | 0.9058 |
161 | 9TW | 0.9056 |
162 | 0F9 | 0.9054 |
163 | NCT | 0.9053 |
164 | URC | 0.9052 |
165 | 293 | 0.9051 |
166 | PGH | 0.9051 |
167 | BNS | 0.9048 |
168 | 4J8 | 0.9048 |
169 | 3QM | 0.9048 |
170 | 1SA | 0.9047 |
171 | TAG | 0.9047 |
172 | 2F6 | 0.9047 |
173 | 6PC | 0.9046 |
174 | N4B | 0.9043 |
175 | 5B1 | 0.9042 |
176 | 61M | 0.9041 |
177 | T9G | 0.9036 |
178 | OVM | 0.9033 |
179 | FHB | 0.9032 |
180 | FA3 | 0.9032 |
181 | 9R5 | 0.9031 |
182 | SJ5 | 0.9030 |
183 | 6ME | 0.9030 |
184 | TT4 | 0.9030 |
185 | 5HN | 0.9029 |
186 | D1X | 0.9029 |
187 | GZ3 | 0.9028 |
188 | Q02 | 0.9026 |
189 | URS | 0.9026 |
190 | FUD | 0.9024 |
191 | 3C4 | 0.9024 |
192 | AMS | 0.9024 |
193 | 7N0 | 0.9023 |
194 | CHB | 0.9023 |
195 | R67 | 0.9023 |
196 | IHB | 0.9022 |
197 | I3A | 0.9021 |
198 | 5QY | 0.9018 |
199 | S2P | 0.9017 |
200 | GTQ | 0.9017 |
201 | 3BU | 0.9016 |
202 | KOJ | 0.9013 |
203 | QBM | 0.9012 |
204 | 2AQ | 0.9012 |
205 | FE DB1 | 0.9011 |
206 | EGR | 0.9010 |
207 | 1DQ | 0.9010 |
208 | PBA | 0.9009 |
209 | VNL | 0.9009 |
210 | COU | 0.9006 |
211 | 6FZ | 0.9006 |
212 | RSO | 0.9005 |
213 | XQI | 0.9005 |
214 | OXC | 0.9004 |
215 | BZ3 | 0.9001 |
216 | XXG | 0.9001 |
217 | 3HA | 0.9001 |
218 | 2C2 | 0.9000 |
219 | CTS | 0.8999 |
220 | GVG | 0.8999 |
221 | PPY | 0.8998 |
222 | DBH | 0.8995 |
223 | 34D | 0.8995 |
224 | 5GU | 0.8995 |
225 | EV0 | 0.8994 |
226 | CXF | 0.8994 |
227 | 4A3 | 0.8993 |
228 | 6CS | 0.8993 |
229 | 3F0 | 0.8992 |
230 | 1F1 | 0.8992 |
231 | OCH | 0.8991 |
232 | PEQ | 0.8991 |
233 | DS0 | 0.8990 |
234 | 2HO | 0.8990 |
235 | Q88 | 0.8989 |
236 | F31 | 0.8989 |
237 | 42J | 0.8989 |
238 | LSQ | 0.8989 |
239 | 3M0 | 0.8988 |
240 | G3P | 0.8985 |
241 | ONR | 0.8985 |
242 | 9TZ | 0.8984 |
243 | H42 | 0.8982 |
244 | G3H | 0.8982 |
245 | 5RG | 0.8981 |
246 | AS3 | 0.8980 |
247 | TTL | 0.8979 |
248 | CTL | 0.8979 |
249 | 3PG | 0.8978 |
250 | SS1 | 0.8978 |
251 | 271 | 0.8975 |
252 | 5OB | 0.8975 |
253 | 3MB | 0.8974 |
254 | LT1 | 0.8974 |
255 | OIA | 0.8974 |
256 | BGC | 0.8973 |
257 | 5MK | 0.8972 |
258 | LT2 | 0.8971 |
259 | C9E | 0.8969 |
260 | 1GP | 0.8968 |
261 | 54G | 0.8968 |
262 | G2H | 0.8967 |
263 | GLC | 0.8965 |
264 | PZA | 0.8962 |
265 | 4NG | 0.8961 |
266 | LLQ | 0.8960 |
267 | HCI | 0.8959 |
268 | KDF | 0.8959 |
269 | MAJ | 0.8959 |
270 | B40 | 0.8957 |
271 | SHI | 0.8957 |
272 | B2J | 0.8956 |
273 | KFH | 0.8956 |
274 | B62 | 0.8953 |
275 | 5WV | 0.8952 |
276 | PEZ | 0.8952 |
277 | HFA | 0.8951 |
278 | M58 | 0.8949 |
279 | CEE | 0.8945 |
280 | FA0 | 0.8945 |
281 | 4VY | 0.8943 |
282 | 42C | 0.8943 |
283 | MLT | 0.8943 |
284 | MUA | 0.8942 |
285 | XSP | 0.8942 |
286 | SKM | 0.8942 |
287 | PRA | 0.8941 |
288 | HHH | 0.8941 |
289 | IP0 | 0.8940 |
290 | HY1 | 0.8940 |
291 | 2FY | 0.8939 |
292 | ZZ2 | 0.8938 |
293 | 3HM | 0.8938 |
294 | TSS | 0.8938 |
295 | 7MX | 0.8936 |
296 | GDE | 0.8935 |
297 | AEH | 0.8935 |
298 | HQ9 | 0.8934 |
299 | AW5 | 0.8934 |
300 | 3ID | 0.8934 |
301 | AC0 | 0.8931 |
302 | PEA | 0.8930 |
303 | GLO | 0.8930 |
304 | NCA | 0.8929 |
305 | 4HM | 0.8929 |
306 | QSC | 0.8928 |
307 | TIU | 0.8926 |
308 | SDD | 0.8923 |
309 | 0V5 | 0.8923 |
310 | SX1 | 0.8921 |
311 | 2LP | 0.8920 |
312 | HNK | 0.8919 |
313 | GYE | 0.8919 |
314 | ASO | 0.8919 |
315 | EOL | 0.8918 |
316 | XBT | 0.8918 |
317 | OW4 | 0.8916 |
318 | BEZ | 0.8915 |
319 | V55 | 0.8913 |
320 | 5NI | 0.8912 |
321 | 4M0 | 0.8912 |
322 | ZXD | 0.8911 |
323 | BEN | 0.8910 |
324 | 3SK | 0.8908 |
325 | HL4 | 0.8908 |
326 | SEP | 0.8907 |
327 | 0LH | 0.8907 |
328 | 5M0 | 0.8907 |
329 | SQV | 0.8904 |
330 | DEE | 0.8903 |
331 | 4XV | 0.8903 |
332 | H7Y | 0.8902 |
333 | DX3 | 0.8901 |
334 | 2D8 | 0.8900 |
335 | BAM | 0.8900 |
336 | JTH | 0.8900 |
337 | ICB | 0.8898 |
338 | ROI | 0.8897 |
339 | DMD | 0.8895 |
340 | 3U4 | 0.8894 |
341 | 44V | 0.8893 |
342 | PEL | 0.8893 |
343 | IAC | 0.8891 |
344 | SOR | 0.8891 |
345 | DHS | 0.8889 |
346 | 1WC | 0.8889 |
347 | PBC | 0.8888 |
348 | 7WG | 0.8888 |
349 | 5CU | 0.8887 |
350 | AL0 | 0.8887 |
351 | 1P3 | 0.8885 |
352 | FF3 | 0.8884 |
353 | A3M | 0.8882 |
354 | SRT | 0.8881 |
355 | 15N | 0.8881 |
356 | LY0 | 0.8881 |
357 | 5RN | 0.8878 |
358 | M4T | 0.8877 |
359 | BDP | 0.8877 |
360 | 7ME | 0.8877 |
361 | SIF | 0.8877 |
362 | 3YP | 0.8877 |
363 | AOS | 0.8876 |
364 | JF6 | 0.8874 |
365 | 9KH | 0.8873 |
366 | TZL | 0.8872 |
367 | PO6 | 0.8872 |
368 | OAA | 0.8869 |
369 | HHI | 0.8868 |
370 | CXP | 0.8867 |
371 | ES6 | 0.8867 |
372 | BSX | 0.8866 |
373 | SYC | 0.8864 |
374 | HXX | 0.8864 |
375 | BE2 | 0.8863 |
376 | SAL | 0.8862 |
377 | ICF | 0.8862 |
378 | 791 | 0.8862 |
379 | 4FA | 0.8862 |
380 | EVA | 0.8861 |
381 | COI | 0.8860 |
382 | NIO | 0.8860 |
383 | VNJ | 0.8859 |
384 | LMR | 0.8858 |
385 | UNU | 0.8856 |
386 | TLA | 0.8855 |
387 | SPV | 0.8854 |
388 | Q6T | 0.8851 |
389 | 4SV | 0.8851 |
390 | TSR | 0.8851 |
391 | YTX | 0.8850 |
392 | GTK | 0.8849 |
393 | 4XS | 0.8849 |
394 | GLU | 0.8849 |
395 | PTU | 0.8848 |
396 | 3LR | 0.8848 |
397 | RUY | 0.8847 |
398 | NTN | 0.8846 |
399 | TEO | 0.8843 |
400 | MQB | 0.8842 |
401 | YCP | 0.8842 |
402 | MS9 | 0.8841 |
403 | GCO | 0.8841 |
404 | J0Z | 0.8841 |
405 | HL5 | 0.8841 |
406 | FOT | 0.8841 |
407 | GLN | 0.8840 |
408 | NBZ | 0.8838 |
409 | NVU | 0.8835 |
410 | I38 | 0.8834 |
411 | JRB | 0.8833 |
412 | E7Z | 0.8832 |
413 | 264 | 0.8832 |
414 | ZBT | 0.8831 |
415 | ASP | 0.8829 |
416 | ISN | 0.8828 |
417 | J9W | 0.8828 |
418 | OHP | 0.8828 |
419 | JZ4 | 0.8828 |
420 | C2A | 0.8827 |
421 | OVP | 0.8825 |
422 | 2HC | 0.8825 |
423 | FP1 | 0.8824 |
424 | 261 | 0.8824 |
425 | PGA | 0.8823 |
426 | 0W8 | 0.8823 |
427 | CFA | 0.8822 |
428 | O2A | 0.8821 |
429 | 1LQ | 0.8821 |
430 | 46P | 0.8821 |
431 | RNT | 0.8817 |
432 | AKG | 0.8816 |
433 | NPO | 0.8816 |
434 | PSE | 0.8816 |
435 | XYL | 0.8814 |
436 | RB5 | 0.8814 |
437 | SYM | 0.8813 |
438 | DGL | 0.8813 |
439 | ES7 | 0.8811 |
440 | VGL | 0.8811 |
441 | FRU | 0.8811 |
442 | AC6 | 0.8811 |
443 | 9MG | 0.8810 |
444 | NDH | 0.8810 |
445 | YPN | 0.8810 |
446 | 8XL | 0.8808 |
447 | JKE | 0.8804 |
448 | DI6 | 0.8804 |
449 | DIR | 0.8803 |
450 | HIO | 0.8802 |
451 | IJZ | 0.8801 |
452 | WOT | 0.8800 |
453 | 7WV | 0.8800 |
454 | DHI | 0.8800 |
455 | QIC | 0.8796 |
456 | DYA | 0.8796 |
457 | 33S | 0.8795 |
458 | LPK | 0.8795 |
459 | HHA | 0.8795 |
460 | AKH | 0.8794 |
461 | DPN | 0.8794 |
462 | PMF | 0.8792 |
463 | 1LN | 0.8791 |
464 | P7Y | 0.8791 |
465 | XUL | 0.8790 |
466 | F60 | 0.8790 |
467 | PRZ | 0.8789 |
468 | N5J | 0.8788 |
469 | KKN | 0.8788 |
470 | SOL | 0.8786 |
471 | QDK | 0.8785 |
472 | HPV | 0.8784 |
473 | XX2 | 0.8784 |
474 | 7VS | 0.8784 |
475 | 6AI | 0.8782 |
476 | YRL | 0.8782 |
477 | DQA | 0.8782 |
478 | 6M9 | 0.8781 |
479 | SWA | 0.8780 |
480 | GZQ | 0.8779 |
481 | DEW | 0.8778 |
482 | 1WD | 0.8777 |
483 | 2HG | 0.8777 |
484 | MUC | 0.8775 |
485 | 7CT | 0.8773 |
486 | 4Z4 | 0.8773 |
487 | 3R6 | 0.8772 |
488 | HG3 | 0.8771 |
489 | 1XA | 0.8771 |
490 | PPT | 0.8771 |
491 | 4AA | 0.8770 |
492 | 5DI | 0.8769 |
493 | 1SQ | 0.8768 |
494 | DGN | 0.8768 |
495 | M1Q | 0.8768 |
496 | DAL DAL | 0.8767 |
497 | IT2 | 0.8764 |
498 | XX3 | 0.8764 |
499 | JZ7 | 0.8762 |
500 | R9S | 0.8762 |
501 | 5H1 | 0.8759 |
502 | ADZ | 0.8759 |
503 | I4B | 0.8758 |
504 | 5AC | 0.8757 |
505 | IPB | 0.8756 |
506 | BZX | 0.8756 |
507 | 4PN | 0.8755 |
508 | GCU | 0.8755 |
509 | XEN | 0.8754 |
510 | XIZ | 0.8754 |
511 | 8U3 | 0.8753 |
512 | 40E | 0.8752 |
513 | LTT | 0.8752 |
514 | AEF | 0.8750 |
515 | X8Z | 0.8749 |
516 | EA1 | 0.8748 |
517 | SXS | 0.8748 |
518 | HF2 | 0.8747 |
519 | JLZ | 0.8747 |
520 | RAT | 0.8745 |
521 | IOP | 0.8743 |
522 | P58 | 0.8741 |
523 | G5V | 0.8739 |
524 | 5MB | 0.8739 |
525 | 14O | 0.8738 |
526 | 3IT | 0.8737 |
527 | AZ8 | 0.8735 |
528 | C2U | 0.8735 |
529 | X05 | 0.8734 |
530 | F05 | 0.8732 |
531 | PSJ | 0.8731 |
532 | SLC | 0.8729 |
533 | TIH | 0.8726 |
534 | 1NP | 0.8725 |
535 | LEU | 0.8724 |
536 | 56D | 0.8723 |
537 | NOJ | 0.8723 |
538 | LFC | 0.8722 |
539 | XLS | 0.8721 |
540 | 36M | 0.8721 |
541 | IPZ | 0.8719 |
542 | JBK | 0.8719 |
543 | HJP | 0.8719 |
544 | GUN | 0.8710 |
545 | SR1 | 0.8710 |
546 | PRY | 0.8708 |
547 | K6H | 0.8707 |
548 | 4HP | 0.8706 |
549 | CN0 | 0.8705 |
550 | OSE | 0.8705 |
551 | OW7 | 0.8702 |
552 | MCO | 0.8702 |
553 | FGZ | 0.8701 |
554 | 269 | 0.8701 |
555 | HPT | 0.8701 |
556 | GTR | 0.8699 |
557 | OA3 | 0.8698 |
558 | JBH | 0.8697 |
559 | ALA ALA | 0.8697 |
560 | 256 | 0.8696 |
561 | 9PY | 0.8695 |
562 | CRN | 0.8695 |
563 | PJL | 0.8694 |
564 | ZZ3 | 0.8693 |
565 | Q03 | 0.8691 |
566 | 0RW | 0.8691 |
567 | QSB | 0.8690 |
568 | 2K4 | 0.8688 |
569 | UNC | 0.8688 |
570 | 5IQ | 0.8686 |
571 | AFR | 0.8686 |
572 | 149 | 0.8684 |
573 | 5MI | 0.8683 |
574 | 7Q1 | 0.8682 |
575 | SER PRO | 0.8682 |
576 | 7BC | 0.8682 |
577 | RD4 | 0.8680 |
578 | E1P | 0.8679 |
579 | SVN | 0.8677 |
580 | 54D | 0.8676 |
581 | ES1 | 0.8672 |
582 | TZE | 0.8672 |
583 | NGO | 0.8671 |
584 | KBG | 0.8671 |
585 | 4YS | 0.8669 |
586 | ALA PRO | 0.8669 |
587 | S76 | 0.8668 |
588 | BHH | 0.8667 |
589 | ASN | 0.8665 |
590 | 3CU | 0.8665 |
591 | NGT | 0.8664 |
592 | PFL | 0.8663 |
593 | O7U | 0.8659 |
594 | 9BF | 0.8657 |
595 | XQG | 0.8656 |
596 | ADA | 0.8655 |
597 | 2RH | 0.8654 |
598 | CIT | 0.8654 |
599 | RBJ | 0.8653 |
600 | M1H | 0.8651 |
601 | O45 | 0.8649 |
602 | 24W | 0.8648 |
603 | 9DG | 0.8648 |
604 | MB1 | 0.8645 |
605 | GLY PRO | 0.8645 |
606 | XAN | 0.8645 |
607 | AEG | 0.8643 |
608 | AZA | 0.8643 |
609 | 3XX | 0.8643 |
610 | CYX | 0.8643 |
611 | NFA | 0.8642 |
612 | GWM | 0.8642 |
613 | DIU | 0.8641 |
614 | PCS | 0.8641 |
615 | BPW | 0.8640 |
616 | AMQ | 0.8640 |
617 | 2IT | 0.8639 |
618 | PBN | 0.8636 |
619 | JPZ | 0.8634 |
620 | DMV | 0.8630 |
621 | 41K | 0.8630 |
622 | I2E | 0.8625 |
623 | 9EW | 0.8625 |
624 | TPO | 0.8624 |
625 | BE7 | 0.8624 |
626 | RBL | 0.8624 |
627 | M0W | 0.8623 |
628 | FQI | 0.8622 |
629 | L7T | 0.8617 |
630 | 2A7 | 0.8617 |
631 | 7HQ | 0.8616 |
632 | 7NI | 0.8614 |
633 | 5ZZ | 0.8612 |
634 | 3DO | 0.8610 |
635 | 2CK | 0.8610 |
636 | M4S | 0.8607 |
637 | GCB | 0.8606 |
638 | HPA | 0.8602 |
639 | 5SG | 0.8602 |
640 | F1A | 0.8602 |
641 | A9P | 0.8600 |
642 | 4RW | 0.8598 |
643 | 3R9 | 0.8595 |
644 | 5Q0 | 0.8595 |
645 | KGK | 0.8595 |
646 | M74 | 0.8595 |
647 | GCS | 0.8591 |
648 | FIX | 0.8587 |
649 | JYD | 0.8585 |
650 | ADE | 0.8584 |
651 | GAG | 0.8584 |
652 | 15L | 0.8581 |
653 | 9SE | 0.8578 |
654 | QBS | 0.8577 |
655 | BK9 | 0.8571 |
656 | LGC | 0.8570 |
657 | 141 | 0.8566 |
658 | GBN | 0.8563 |
659 | 5WY | 0.8562 |
660 | KMT | 0.8562 |
661 | 8GL | 0.8561 |
662 | 289 | 0.8551 |
663 | LTL | 0.8551 |
664 | 290 | 0.8550 |
665 | AZG | 0.8549 |
666 | 6AP | 0.8549 |
667 | A2F | 0.8548 |
668 | HQY | 0.8547 |
669 | SBK | 0.8538 |
670 | HYA | 0.8534 |
671 | 14W | 0.8532 |
672 | DIG | 0.8532 |
This union binding pocket(no: 1) in the query (biounit: 2ckm.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2ckm.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |