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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 | Similarity coefficient |
---|---|---|
1 | TAU | 1.0000 |
2 | BML | 1.0000 |
3 | BTL | 1.0000 |
4 | P7I | 1.0000 |
5 | COM | 1.0000 |
6 | POA | 1.0000 |
7 | 2HE | 1.0000 |
8 | XPO | 1.0000 |
9 | 8X3 | 1.0000 |
10 | FJO | 1.0000 |
11 | 9SB | 0.9996 |
12 | EFS | 0.9982 |
13 | VX | 0.9976 |
14 | MLI | 0.9786 |
15 | A20 | 0.9742 |
16 | ETF | 0.9732 |
17 | HV2 | 0.9692 |
18 | PGA | 0.9689 |
19 | OPE | 0.9685 |
20 | CNH | 0.9668 |
21 | PPF | 0.9662 |
22 | CP | 0.9656 |
23 | HSW | 0.9651 |
24 | MMQ | 0.9649 |
25 | TAY | 0.9645 |
26 | TB6 | 0.9634 |
27 | MPD | 0.9623 |
28 | TB0 | 0.9609 |
29 | MLA | 0.9604 |
30 | PAE | 0.9597 |
31 | 7VD | 0.9595 |
32 | VSO | 0.9593 |
33 | 3HR | 0.9593 |
34 | BAE | 0.9586 |
35 | FCN | 0.9575 |
36 | TAN | 0.9562 |
37 | 1SP | 0.9562 |
38 | 1AC | 0.9560 |
39 | SAT | 0.9553 |
40 | ODV | 0.9536 |
41 | S0H | 0.9534 |
42 | PCT | 0.9531 |
43 | FW5 | 0.9499 |
44 | IVA | 0.9499 |
45 | BU4 | 0.9499 |
46 | DMG | 0.9498 |
47 | PRI | 0.9466 |
48 | BUB | 0.9460 |
49 | SER | 0.9459 |
50 | MLM | 0.9453 |
51 | SAR | 0.9449 |
52 | BAL | 0.9441 |
53 | AOA | 0.9435 |
54 | HLT | 0.9434 |
55 | ABU | 0.9427 |
56 | 3HL | 0.9424 |
57 | 192 | 0.9421 |
58 | KIV | 0.9420 |
59 | MTG | 0.9410 |
60 | BMD | 0.9403 |
61 | THR | 0.9401 |
62 | 9X7 | 0.9394 |
63 | SMB | 0.9390 |
64 | SGL | 0.9384 |
65 | DSN | 0.9376 |
66 | AAE | 0.9375 |
67 | 8FH | 0.9369 |
68 | SSN | 0.9366 |
69 | HUI | 0.9360 |
70 | MAE | 0.9358 |
71 | 3OH | 0.9355 |
72 | DBB | 0.9337 |
73 | HIU | 0.9335 |
74 | BUA | 0.9329 |
75 | EGD | 0.9327 |
76 | PRO | 0.9325 |
77 | BUQ | 0.9324 |
78 | NVI | 0.9320 |
79 | 2RA | 0.9317 |
80 | DGY | 0.9317 |
81 | 03W | 0.9317 |
82 | DTL | 0.9311 |
83 | C5J | 0.9303 |
84 | 39J | 0.9296 |
85 | C2N | 0.9293 |
86 | MZ0 | 0.9291 |
87 | OXL | 0.9290 |
88 | IHG | 0.9288 |
89 | ITU | 0.9286 |
90 | TFB | 0.9284 |
91 | VAL | 0.9281 |
92 | 9YL | 0.9280 |
93 | KG7 | 0.9279 |
94 | NCM | 0.9271 |
95 | CYS | 0.9264 |
96 | ALO | 0.9261 |
97 | MEU | 0.9258 |
98 | AKB | 0.9258 |
99 | 2KT | 0.9249 |
100 | DXX | 0.9249 |
101 | NVA | 0.9248 |
102 | IQ0 | 0.9246 |
103 | DE2 | 0.9239 |
104 | TFS | 0.9234 |
105 | 3PY | 0.9234 |
106 | P2D | 0.9233 |
107 | GOL | 0.9232 |
108 | GXV | 0.9232 |
109 | DSS | 0.9230 |
110 | 3GR | 0.9229 |
111 | HGY | 0.9229 |
112 | LER | 0.9228 |
113 | OXD | 0.9224 |
114 | DAL | 0.9224 |
115 | 1Y8 | 0.9222 |
116 | 2OP | 0.9222 |
117 | MRY | 0.9221 |
118 | 2PC | 0.9219 |
119 | OXM | 0.9218 |
120 | 3BB | 0.9216 |
121 | HSE | 0.9208 |
122 | LAC | 0.9208 |
123 | BXO | 0.9207 |
124 | ALQ | 0.9207 |
125 | PUT | 0.9206 |
126 | ALA | 0.9203 |
127 | PRS | 0.9201 |
128 | 273 | 0.9200 |
129 | A3B | 0.9200 |
130 | LEA | 0.9196 |
131 | DPR | 0.9192 |
132 | ICN | 0.9192 |
133 | BVG | 0.9192 |
134 | DZZ | 0.9180 |
135 | XAP | 0.9170 |
136 | ASP | 0.9170 |
137 | GG6 | 0.9168 |
138 | R2B | 0.9165 |
139 | LLQ | 0.9162 |
140 | PYR | 0.9157 |
141 | DCY | 0.9152 |
142 | 1DQ | 0.9150 |
143 | FMS | 0.9149 |
144 | DAB | 0.9143 |
145 | FLA | 0.9142 |
146 | 2EZ | 0.9138 |
147 | 2MH | 0.9129 |
148 | 4JU | 0.9129 |
149 | 1AB | 0.9128 |
150 | BVC | 0.9123 |
151 | SIN | 0.9113 |
152 | HDA | 0.9112 |
153 | HBS | 0.9110 |
154 | DTT | 0.9109 |
155 | 23W | 0.9106 |
156 | IPU | 0.9101 |
157 | HBR | 0.9098 |
158 | NAK | 0.9096 |
159 | AC5 | 0.9096 |
160 | GBL | 0.9096 |
161 | JZ6 | 0.9092 |
162 | LDU | 0.9090 |
163 | CYH | 0.9089 |
164 | CXL | 0.9089 |
165 | 4MZ | 0.9085 |
166 | HVQ | 0.9084 |
167 | GLV | 0.9082 |
168 | X1S | 0.9079 |
169 | HYN | 0.9078 |
170 | D2P | 0.9078 |
171 | A2Q | 0.9078 |
172 | 1CB | 0.9077 |
173 | GLY | 0.9074 |
174 | 6SP | 0.9074 |
175 | HYP | 0.9074 |
176 | PPV | 0.9071 |
177 | HAI | 0.9071 |
178 | AKR | 0.9071 |
179 | RP7 | 0.9069 |
180 | BYZ | 0.9067 |
181 | ETX | 0.9065 |
182 | HCS | 0.9064 |
183 | 5KX | 0.9061 |
184 | XIX | 0.9057 |
185 | PPI | 0.9056 |
186 | CEJ | 0.9052 |
187 | 1SH | 0.9052 |
188 | UYA | 0.9052 |
189 | 2MZ | 0.9051 |
190 | ASN | 0.9050 |
191 | POP | 0.9048 |
192 | ABA | 0.9044 |
193 | HVB | 0.9043 |
194 | MZY | 0.9042 |
195 | 7EX | 0.9039 |
196 | ES3 | 0.9033 |
197 | 3SY | 0.9032 |
198 | HPY | 0.9031 |
199 | SLP | 0.9030 |
200 | CIZ | 0.9029 |
201 | PE9 | 0.9028 |
202 | 1DU | 0.9028 |
203 | 1MZ | 0.9027 |
204 | PAH | 0.9027 |
205 | TZZ | 0.9027 |
206 | 1BP | 0.9024 |
207 | A8C | 0.9024 |
208 | DTU | 0.9024 |
209 | 5MP | 0.9022 |
210 | 2A1 | 0.9020 |
211 | GOA | 0.9020 |
212 | PYM | 0.9017 |
213 | 2HA | 0.9014 |
214 | 4HA | 0.9011 |
215 | J3K | 0.9010 |
216 | ISU | 0.9010 |
217 | F3V | 0.9008 |
218 | BUO | 0.9007 |
219 | CMS | 0.9005 |
220 | PYZ | 0.9004 |
221 | BAQ | 0.9002 |
222 | 25T | 0.9001 |
223 | FAH | 0.9000 |
224 | HOW | 0.9000 |
225 | E60 | 0.9000 |
226 | NIE | 0.8999 |
227 | 2AI | 0.8998 |
228 | R3W | 0.8995 |
229 | NIS | 0.8993 |
230 | MR3 | 0.8988 |
231 | OHG | 0.8987 |
232 | 24T | 0.8986 |
233 | OAA | 0.8986 |
234 | 3PP | 0.8981 |
235 | 3TR | 0.8977 |
236 | IPH | 0.8970 |
237 | 4AX | 0.8966 |
238 | YHO | 0.8960 |
239 | R1X | 0.8959 |
240 | HX2 | 0.8957 |
241 | IMR | 0.8957 |
242 | THE | 0.8957 |
243 | HAE | 0.8957 |
244 | JYD | 0.8953 |
245 | 2PN | 0.8953 |
246 | UY7 | 0.8952 |
247 | JBN | 0.8949 |
248 | 2IM | 0.8947 |
249 | V1L | 0.8946 |
250 | 3MT | 0.8946 |
251 | 1DH | 0.8946 |
252 | HZP | 0.8946 |
253 | 3Q7 | 0.8945 |
254 | NMU | 0.8944 |
255 | 40O | 0.8944 |
256 | 3ZS | 0.8944 |
257 | 285 | 0.8943 |
258 | 2RH | 0.8941 |
259 | ILE | 0.8938 |
260 | FUM | 0.8936 |
261 | APY | 0.8936 |
262 | FOA | 0.8935 |
263 | MB3 | 0.8935 |
264 | H3M | 0.8935 |
265 | 93B | 0.8935 |
266 | MGX | 0.8935 |
267 | 23B | 0.8934 |
268 | HSM | 0.8931 |
269 | T2C | 0.8931 |
270 | DCL | 0.8928 |
271 | PIS | 0.8928 |
272 | PXO | 0.8926 |
273 | AHR | 0.8926 |
274 | NMG | 0.8926 |
275 | LMR | 0.8926 |
276 | MMU | 0.8923 |
277 | ATQ | 0.8923 |
278 | KPL | 0.8919 |
279 | F50 | 0.8918 |
280 | AMT | 0.8917 |
281 | PYC | 0.8917 |
282 | 4MV | 0.8916 |
283 | NHY | 0.8915 |
284 | WTZ | 0.8911 |
285 | L60 | 0.8911 |
286 | 9PO | 0.8910 |
287 | ATO | 0.8906 |
288 | PBE | 0.8906 |
289 | PAF | 0.8905 |
290 | FPI | 0.8901 |
291 | AMC | 0.8898 |
292 | PCA | 0.8897 |
293 | AML | 0.8896 |
294 | MLT | 0.8894 |
295 | GXE | 0.8885 |
296 | 3SS | 0.8885 |
297 | RSF | 0.8884 |
298 | TZC | 0.8881 |
299 | AGU | 0.8881 |
300 | 1GP | 0.8880 |
301 | PYF | 0.8877 |
302 | HVK | 0.8875 |
303 | DAS | 0.8873 |
304 | 9A4 | 0.8873 |
305 | 4DX | 0.8872 |
306 | 98J | 0.8871 |
307 | 280 | 0.8871 |
308 | BXA | 0.8871 |
309 | G3P | 0.8870 |
310 | MBN | 0.8865 |
311 | HRZ | 0.8865 |
312 | CP2 | 0.8864 |
313 | QFH | 0.8864 |
314 | MSF | 0.8860 |
315 | LGA | 0.8858 |
316 | PIH | 0.8854 |
317 | TNE | 0.8854 |
318 | TF4 | 0.8852 |
319 | TEO | 0.8850 |
320 | 5Y9 | 0.8850 |
321 | H95 | 0.8848 |
322 | 2A3 | 0.8848 |
323 | HBX | 0.8847 |
324 | DMV | 0.8843 |
325 | 2AP | 0.8842 |
326 | 4AP | 0.8841 |
327 | Z6J | 0.8837 |
328 | 3AP | 0.8834 |
329 | PTO | 0.8834 |
330 | VAH | 0.8833 |
331 | DUC | 0.8828 |
332 | 282 | 0.8827 |
333 | SVJ | 0.8821 |
334 | 61G | 0.8816 |
335 | HHN | 0.8815 |
336 | CSS | 0.8813 |
337 | SYN | 0.8813 |
338 | PY7 | 0.8809 |
339 | MMZ | 0.8805 |
340 | HSL | 0.8803 |
341 | 8CL | 0.8801 |
342 | LEU | 0.8798 |
343 | JZ5 | 0.8796 |
344 | 32O | 0.8791 |
345 | HQE | 0.8790 |
346 | HY3 | 0.8788 |
347 | WOT | 0.8786 |
348 | FPY | 0.8786 |
349 | 2CO | 0.8784 |
350 | CRD | 0.8781 |
351 | 265 | 0.8781 |
352 | MDN | 0.8772 |
353 | NBE | 0.8771 |
354 | RUU | 0.8771 |
355 | MAK | 0.8770 |
356 | O7U | 0.8767 |
357 | ABN | 0.8766 |
358 | TSZ | 0.8764 |
359 | KSW | 0.8762 |
360 | 278 | 0.8761 |
361 | 1MR | 0.8760 |
362 | SMV | 0.8759 |
363 | COI | 0.8757 |
364 | PYJ | 0.8757 |
365 | 4CH | 0.8756 |
366 | J1Z | 0.8752 |
367 | ORN | 0.8751 |
368 | PLQ | 0.8750 |
369 | HGW | 0.8743 |
370 | 13D | 0.8735 |
371 | ICF | 0.8733 |
372 | ECE | 0.8732 |
373 | 9X6 | 0.8729 |
374 | DA1 | 0.8728 |
375 | TP5 | 0.8727 |
376 | C21 | 0.8724 |
377 | LG4 | 0.8723 |
378 | 25R | 0.8723 |
379 | 34V | 0.8723 |
380 | TTO | 0.8719 |
381 | 9TY | 0.8719 |
382 | I2M | 0.8718 |
383 | BP9 | 0.8712 |
384 | DPF | 0.8709 |
385 | IOM | 0.8706 |
386 | CRN | 0.8706 |
387 | 3CL | 0.8702 |
388 | PCR | 0.8700 |
389 | URA | 0.8695 |
390 | XYS | 0.8689 |
391 | XYL | 0.8688 |
392 | FPN | 0.8686 |
393 | XLS | 0.8683 |
394 | ICC | 0.8672 |
395 | 9CL | 0.8666 |
396 | SRT | 0.8664 |
397 | 9A7 | 0.8662 |
398 | PXY | 0.8654 |
399 | B24 | 0.8654 |
400 | 51F | 0.8650 |
401 | 3ZQ | 0.8650 |
402 | RCO | 0.8643 |
403 | 5AC | 0.8639 |
404 | PAV | 0.8638 |
405 | 03S | 0.8632 |
406 | TLA | 0.8623 |
407 | CRS | 0.8615 |
408 | GAG | 0.8612 |
409 | 4JN | 0.8610 |
410 | 4XX | 0.8607 |
411 | H76 | 0.8599 |
412 | MET | 0.8590 |
413 | 14J | 0.8590 |
414 | 26D | 0.8586 |
415 | 7WG | 0.8585 |
416 | ACH | 0.8583 |
417 | GLU | 0.8573 |
418 | 6PC | 0.8573 |
419 | OXQ | 0.8573 |
420 | IDH | 0.8556 |
421 | TAR | 0.8552 |
422 | DMI | 0.8542 |
423 | PEP | 0.8515 |
This union binding pocket(no: 1) in the query (biounit: 5ehz.bio1) has 41 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5ehz.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |