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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 | MBT | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | AO | 0.9977 |
2 | 124 | 0.9552 |
3 | 0NJ | 0.9389 |
4 | A05 | 0.9385 |
5 | 01I | 0.9341 |
6 | 802 | 0.9317 |
7 | 801 | 0.9294 |
8 | 120 | 0.9293 |
9 | 907 | 0.9283 |
10 | CR4 | 0.9250 |
11 | 1UR | 0.9249 |
12 | BMZ | 0.9246 |
13 | 121 | 0.9239 |
14 | 4UM | 0.9236 |
15 | 1UT | 0.9228 |
16 | 334 | 0.9226 |
17 | 23M | 0.9212 |
18 | A64 | 0.9208 |
19 | 1V0 | 0.9207 |
20 | HRD | 0.9193 |
21 | 122 | 0.9190 |
22 | SAU | 0.9188 |
23 | F08 | 0.9164 |
24 | 1V8 | 0.9149 |
25 | 517 | 0.9149 |
26 | ESJ | 0.9145 |
27 | 29F | 0.9138 |
28 | 97K | 0.9129 |
29 | A8D | 0.9128 |
30 | U32 | 0.9125 |
31 | BBP | 0.9116 |
32 | 08C | 0.9114 |
33 | 27F | 0.9110 |
34 | OLU | 0.9108 |
35 | L43 | 0.9098 |
36 | WF4 | 0.9090 |
37 | 3MI | 0.9089 |
38 | 123 | 0.9082 |
39 | A63 | 0.9081 |
40 | END | 0.9079 |
41 | 06R | 0.9063 |
42 | A9E | 0.9063 |
43 | RF2 | 0.9060 |
44 | 1UZ | 0.9041 |
45 | E8Z | 0.9040 |
46 | CUE | 0.9039 |
47 | F36 | 0.9036 |
48 | PRL | 0.9035 |
49 | 72H | 0.9035 |
50 | ENY | 0.9035 |
51 | 797 | 0.9029 |
52 | E98 | 0.9029 |
53 | XAV | 0.9021 |
54 | Z3R | 0.9019 |
55 | 5Z5 | 0.9018 |
56 | E92 | 0.9018 |
57 | 2WU | 0.9017 |
58 | GN5 | 0.9015 |
59 | JL7 | 0.9015 |
60 | F5N | 0.9010 |
61 | BRZ | 0.9010 |
62 | 397 | 0.9004 |
63 | C0V | 0.8998 |
64 | 31F | 0.8998 |
65 | LC1 | 0.8998 |
66 | W2E | 0.8990 |
67 | STR | 0.8980 |
68 | K7H | 0.8976 |
69 | 272 | 0.8965 |
70 | TFX | 0.8964 |
71 | 3K1 | 0.8962 |
72 | PLO | 0.8961 |
73 | NVS | 0.8957 |
74 | ECS | 0.8952 |
75 | 1DR | 0.8947 |
76 | 1R5 | 0.8943 |
77 | KWD | 0.8942 |
78 | G2V | 0.8930 |
79 | LU2 | 0.8928 |
80 | SLX | 0.8922 |
81 | 62D | 0.8922 |
82 | EQU | 0.8920 |
83 | AD6 | 0.8920 |
84 | 135 | 0.8918 |
85 | 4P9 | 0.8918 |
86 | BER | 0.8914 |
87 | ZTW | 0.8913 |
88 | O53 | 0.8911 |
89 | WG8 | 0.8904 |
90 | EST | 0.8903 |
91 | LZ3 | 0.8900 |
92 | S98 | 0.8893 |
93 | EES | 0.8892 |
94 | 6VW | 0.8888 |
95 | KWV | 0.8885 |
96 | J2W | 0.8884 |
97 | 7G2 | 0.8882 |
98 | 5OR | 0.8878 |
99 | GEN | 0.8878 |
100 | 6ZE | 0.8872 |
101 | F33 | 0.8872 |
102 | HUL | 0.8871 |
103 | 338 | 0.8869 |
104 | DFL | 0.8869 |
105 | 1CA | 0.8866 |
106 | DEH | 0.8865 |
107 | LUM | 0.8861 |
108 | 20N | 0.8860 |
109 | ESR | 0.8860 |
110 | 0S0 | 0.8855 |
111 | A9B | 0.8852 |
112 | DN8 | 0.8851 |
113 | 25F | 0.8851 |
114 | IDZ | 0.8848 |
115 | WZC | 0.8842 |
116 | P7V | 0.8840 |
117 | 7B1 | 0.8840 |
118 | A73 | 0.8832 |
119 | A1Z | 0.8830 |
120 | 3G6 | 0.8829 |
121 | NKI | 0.8828 |
122 | CTI | 0.8824 |
123 | 91F | 0.8823 |
124 | 32F | 0.8821 |
125 | 17M | 0.8818 |
126 | 72G | 0.8817 |
127 | AJG | 0.8815 |
128 | ESM | 0.8813 |
129 | 5WW | 0.8801 |
130 | 9EG | 0.8801 |
131 | 3F4 | 0.8800 |
132 | HH6 | 0.8797 |
133 | 1VG | 0.8794 |
134 | FT2 | 0.8791 |
135 | RGK | 0.8790 |
136 | SDN | 0.8788 |
137 | J3Z | 0.8787 |
138 | 6JP | 0.8784 |
139 | 2ZI | 0.8780 |
140 | DHT | 0.8779 |
141 | 3G5 | 0.8778 |
142 | KU1 | 0.8776 |
143 | 4CN | 0.8774 |
144 | 6JM | 0.8772 |
145 | AX1 | 0.8769 |
146 | 5SD | 0.8767 |
147 | 7FC | 0.8766 |
148 | IY5 | 0.8765 |
149 | X2L | 0.8762 |
150 | 1V1 | 0.8760 |
151 | 1UW | 0.8760 |
152 | LIG | 0.8760 |
153 | 6DH | 0.8756 |
154 | AOM | 0.8751 |
155 | Q92 | 0.8751 |
156 | 79X | 0.8749 |
157 | 7FZ | 0.8748 |
158 | 1HP | 0.8746 |
159 | 20D | 0.8744 |
160 | TES | 0.8744 |
161 | 90G | 0.8743 |
162 | NIF | 0.8741 |
163 | 7KE | 0.8738 |
164 | 2OX | 0.8738 |
165 | 6AN | 0.8737 |
166 | Q0K | 0.8737 |
167 | 4HG | 0.8734 |
168 | T21 | 0.8733 |
169 | 3DL | 0.8729 |
170 | HCC | 0.8727 |
171 | 1Q1 | 0.8719 |
172 | 0UL | 0.8718 |
173 | 9C8 | 0.8716 |
174 | 9B2 | 0.8716 |
175 | ASD | 0.8713 |
176 | AGI | 0.8713 |
177 | 2JP | 0.8711 |
178 | AQN | 0.8709 |
179 | K3T | 0.8708 |
180 | D26 | 0.8705 |
181 | ZUF | 0.8703 |
182 | 68C | 0.8703 |
183 | NAR | 0.8702 |
184 | L02 | 0.8699 |
185 | FNT | 0.8699 |
186 | 1XS | 0.8697 |
187 | UN9 | 0.8690 |
188 | T5J | 0.8684 |
189 | ESL | 0.8683 |
190 | DX8 | 0.8680 |
191 | 4KN | 0.8679 |
192 | 609 | 0.8678 |
193 | LWA | 0.8677 |
194 | 0RA | 0.8677 |
195 | XZ1 | 0.8674 |
196 | YZ9 | 0.8672 |
197 | 4UE | 0.8664 |
198 | R18 | 0.8664 |
199 | JKN | 0.8660 |
200 | OUG | 0.8656 |
201 | OSJ | 0.8655 |
202 | ESZ | 0.8651 |
203 | 4B8 | 0.8648 |
204 | 3WL | 0.8648 |
205 | Q7U | 0.8644 |
206 | 47X | 0.8644 |
207 | MRE | 0.8643 |
208 | OUA | 0.8641 |
209 | BRN | 0.8640 |
210 | 7GK | 0.8640 |
211 | 35K | 0.8631 |
212 | TID | 0.8629 |
213 | FSE | 0.8619 |
214 | CDJ | 0.8618 |
215 | H4B | 0.8616 |
216 | 5XM | 0.8614 |
217 | NZO | 0.8606 |
218 | K97 | 0.8604 |
219 | 2UV | 0.8603 |
220 | 7FU | 0.8597 |
221 | MI2 | 0.8595 |
222 | FJR | 0.8592 |
223 | F70 | 0.8585 |
224 | PDN | 0.8583 |
225 | PIQ | 0.8583 |
226 | HPX | 0.8582 |
227 | UAY | 0.8581 |
228 | MXM | 0.8579 |
229 | WLH | 0.8576 |
230 | LI7 | 0.8575 |
231 | J2Q | 0.8567 |
232 | 0FZ | 0.8566 |
233 | BRY | 0.8565 |
234 | OSD | 0.8560 |
235 | PW8 | 0.8556 |
236 | 9AW | 0.8555 |
237 | 8V8 | 0.8541 |
238 | BX4 | 0.8539 |
239 | JMM | 0.8539 |
240 | KMP | 0.8531 |
241 | QUE | 0.8527 |
242 | J1K | 0.8526 |
243 | 4AU | 0.8512 |
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 |