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- 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 3 families. | |||||
1 | 4WTM | - | C C | n/a | n/a |
2 | 4WTK | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
3 | 1YVX | ic50 = 8 uM | IPC | C22 H21 N O3 S | Cc1ccc(cc1.... |
4 | 1YVZ | ic50 = 4.4 uM | JPC | C21 H17 Cl2 N O3 S | CC(C)N(c1c.... |
5 | 4WTJ | - | A U C C | n/a | n/a |
6 | 4WTL | - | U A C C | n/a | n/a |
7 | 4JU6 | ic50 = 0.67 uM | 1O6 | C24 H29 N O4 | CC1CCC(CC1.... |
8 | 3UDL | - | KLI | C31 H26 F5 N5 O2 | CN1CCN(CC1.... |
9 | 3CJ5 | Kd = 0.46 uM | SX6 | C22 H30 Br N3 O4 | C[C@H]1C[C.... |
10 | 3SKA | ic50 = 0.017 uM | 053 | C21 H15 F3 N4 O3 | c1cc2c(cc1.... |
11 | 2JC0 | ic50 = 20 uM | 699 | C22 H22 F3 N O5 S | CC(C)C[C@].... |
12 | 5PZK | - | 2N5 | C20 H21 F N2 O5 S | CC(C)Oc1cc.... |
13 | 2GIR | ic50 = 140 nM | NN3 | C22 H27 N O3 S | CC1CCC(CC1.... |
14 | 3TYV | ic50 = 0.008 uM | HI3 | C25 H20 F3 N3 O4 S | Cc1cc2c(cc.... |
15 | 3H2L | - | YAK | C23 H23 F N4 O6 S2 | CS(=O)(=O).... |
16 | 4IH7 | Kd = 5.8 uM | 1ER | C15 H17 N O | CC(C)(C)c1.... |
17 | 3CIZ | - | SX1 | C7 H6 Br N O2 | c1cc(c(cc1.... |
18 | 4J06 | ic50 = 4.6 uM | 1JG | C11 H7 Br Cl N O4 S2 | c1cc(c(cc1.... |
19 | 3HKY | Kd = 2.3 nM | IX6 | C30 H32 F N3 O6 S | Cc1c(nc(o1.... |
20 | 3PHE | ic50 = 0.016 uM | C9A | C30 H29 Cl F N3 O5 S | CN1CCN(CC1.... |
21 | 3CJ2 | Kd = 14 uM | SX3 | C14 H19 Br N2 O | C[C@@H]1C[.... |
22 | 4J08 | ic50 = 0.22 uM | 1JH | C20 H17 N O5 S | Cc1ccc(cc1.... |
23 | 3BSA | - | 1PD | C21 H22 N6 O6 S2 | CC(C)CCN1C.... |
24 | 3LKH | ic50 = 0.8 uM | LT6 | C23 H29 F N2 O4 | CCCCN(C)C(.... |
25 | 2D3Z | Ki = 0.23 uM | FIH | C18 H14 F N O4 S2 | Cc1ccc(cc1.... |
26 | 3FQL | Kd = 0.071 uM | 79Z | C22 H23 F N2 O5 S | CNC(=O)c1c.... |
27 | 3CJ4 | Kd = 0.31 uM | SX5 | C18 H23 Br N2 O4 | C[C@@H]1C[.... |
28 | 4J0A | ic50 = 0.16 uM | 1JL | C20 H17 N O5 S | Cc1ccc(cc1.... |
29 | 3GYN | ic50 = 0.047 uM | B42 | C24 H34 N4 O6 S2 | CC(C)CC[C@.... |
30 | 4MKB | ic50 = 3 nM | 28V | C24 H27 N3 O4 S | CC(C)(C)c1.... |
31 | 4JVQ | ic50 = 0.63 uM | 1ML | C32 H36 N2 O6 | CC1CCC(CC1.... |
32 | 5PZL | - | 8XV | C23 H21 F N4 O6 S | c1cc2c(cc1.... |
33 | 2I1R | ic50 = 9.7 uM | VXR | C18 H15 F N6 O2 S | CCc1ccc(o1.... |
34 | 2D41 | Ki = 0.15 uM | SNH | C19 H17 N O5 S3 | Cc1ccc(c(c.... |
35 | 2WCX | ic50 = 0.025 uM | VGC | C20 H21 N O2 S | Cn1c2cc(sc.... |
36 | 2HWH | ic50 = 2 uM | RNA | C16 H14 N2 O4 S2 | Cc1ccc(cc1.... |
37 | 3H5U | ic50 = 0.003 uM | H5U | C24 H26 F N3 O6 S2 | CC(C)(C)[C.... |
38 | 6MVQ | - | K4M | C27 H21 B F2 N4 O4 | B(c1ccc(cc.... |
39 | 2DXS | ic50 = 0.046 uM | JTP | C27 H30 N2 O4 | CC(C)(C(=O.... |
40 | 3D5M | ic50 < 0.01 uM | 4MS | C24 H25 Cl F N3 O6 S2 | CC(C)(C)[C.... |
41 | 2YOJ | ic50 = 5 nM | 8Y6 | C25 H14 F2 N4 O5 | c1coc2c1c(.... |
42 | 4MIB | ic50 = 0.2 nM | 28M | C25 H32 N4 O4 S | CC(C)(C)c1.... |
43 | 4JJS | - | 1M9 | C25 H28 F3 N O4 | CC1CCC(CC1.... |
44 | 2D3U | Ki = 0.12 uM | CCT | C19 H14 N2 O4 S2 | Cc1ccccc1S.... |
45 | 4JU7 | ic50 = 0.67 uM | 1O6 | C24 H29 N O4 | CC1CCC(CC1.... |
46 | 3H98 | ic50 < 0.005 uM | B5P | C19 H22 N6 O6 S2 | CC(C)CCN1c.... |
47 | 6W4G | ic50 = 11.1 uM | SL4 | C23 H20 F N3 O4 S | CC(C)(C)[C.... |
48 | 4IH5 | Kd = 78 uM | 12R | C11 H10 N6 | c1ccc(cc1).... |
49 | 2HWI | ic50 = 3 uM | VRX | C18 H15 F N2 O4 S | CCc1ccc(o1.... |
50 | 4MKA | ic50 = 1 nM | 2AY | C26 H26 N2 O6 S | CC(C)(C)c1.... |
51 | 3VQS | ic50 = 0.0178 uM | JT1 | C28 H23 F7 N6 O4 S2 | c1cc(ccc1C.... |
52 | 2BRK | - | CMF | C27 H30 N2 O4 | c1ccc(cc1).... |
53 | 3CDE | ic50 < 0.01 uM | N3H | C21 H23 N5 O6 S3 | CC(C)CCN1C.... |
54 | 3CJ0 | - | SX2 | C9 H9 Br N2 O3 | c1cc(ncc1B.... |
55 | 6MVK | - | K4J | C28 H23 B F2 N2 O6 | B(c1ccc(cc.... |
56 | 3CVK | ic50 < 0.01 uM | N34 | C21 H29 N5 O6 S2 | CC(C)(C)CC.... |
57 | 4KAI | - | 1PV | C27 H25 B F2 N2 O6 S | B(c1ccc(cc.... |
58 | 4JU3 | ic50 = 0.085 uM | 1O1 | C21 H17 N O7 S | Cc1ccc(cc1.... |
59 | 4MK9 | ic50 = 9 nM | 28R | C24 H25 N3 O5 S | CC(C)(C)c1.... |
60 | 4KE5 | - | 1PV | C27 H25 B F2 N2 O6 S | B(c1ccc(cc.... |
61 | 3MF5 | ic50 = 0.042 uM | HJZ | C24 H24 O2 S | CC1CCC(CC1.... |
62 | 4KB7 | - | 690 | C29 H28 B F N2 O6 S | B1(c2ccccc.... |
63 | 5PZN | - | 8XP | C27 H25 F N2 O3 | CC(C)(C)NC.... |
64 | 4JJU | - | 1MB | C21 H12 F5 N3 O2 | c1cc(c(nc1.... |
65 | 1OS5 | Kd = 0.14 uM | NH1 | C29 H37 N O4 S | Cc1cc(c(cc.... |
66 | 3CO9 | - | 3MS | C20 H23 N5 O6 S2 | CC(C)CCN1C.... |
67 | 5CZB | ic50 = 0.0257 uM | 55W | C26 H26 N7 O4 P | Cc1ccc(c(c.... |
68 | 3CJ3 | ic50 = 57 uM | SX4 | C18 H18 Br Cl N2 O | c1ccc(c(c1.... |
69 | 3U4R | ic50 = 0.039 uM | 08F | C27 H23 Cl N6 O6 S2 | CS(=O)(=O).... |
70 | 3GNW | Kd = 0.79 nM | XNC | C34 H32 F N3 O5 S | Cc1cccc(n1.... |
71 | 4MK8 | ic50 = 1 nM | 28Q | C25 H30 N2 O4 S | CC(C)(C)c1.... |
72 | 5TRK | - | 7HH | C23 H19 Cl N2 O5 | c1ccc(cc1).... |
73 | 3HHK | ic50 = 6 nM | 77Z | C23 H26 N4 O6 S | CC(C)CCN1c.... |
74 | 3UPI | ic50 = 6 nM | 0C2 | C25 H21 F2 N3 O5 S | C[C@@H]1CO.... |
75 | 3D28 | ic50 = 1.4 uM | B34 | C21 H20 N2 O4 S | CC(C)[C@H].... |
76 | 4IZ0 | ic50 ~ 100 uM | 2BI | C10 H7 Cl3 N2 O3 S | Cc1cc(no1).... |
77 | 2O5D | ic50 = 7 uM | VR1 | C24 H19 F N4 O7 S2 | CCc1ccc(o1.... |
78 | 3CWJ | ic50 < 0.01 uM | 321 | C22 H24 N4 O6 S3 | CC(C)CCN1C.... |
79 | 3FQK | ic50 = 0.081 uM | 79Z | C22 H23 F N2 O5 S | CNC(=O)c1c.... |
80 | 2WHO | ic50 = 0.02 uM | VGI | C20 H15 Br N2 O3 | c1cc(cc(c1.... |
81 | 4EO6 | Kd = 0.002 uM | 0S2 | C22 H31 N O3 S | CC1CCC(CC1.... |
82 | 4EO8 | Kd = 0.007 uM | 0S3 | C21 H30 N2 O3 S | CC1CCC(CC1.... |
83 | 4TLR | ic50 = 0.003 uM | 33H | C24 H33 N O5 S | C[C@H](C[C.... |
84 | 4J04 | ic50 = 11 uM | 1JF | C13 H7 Cl4 N O4 S | c1cc(c(cc1.... |
85 | 3G86 | ic50 = 0.005 uM | T18 | C25 H19 F2 N3 O6 S2 | CS(=O)(=O).... |
86 | 3QGF | - | 46F | C24 H23 Cl F3 N5 O5 S | COc1ccc(cc.... |
87 | 2JC1 | ic50 = 3.8 uM | 698 | C24 H30 N2 O5 S | CC(C)C[C@].... |
88 | 4DRU | Kd = 2.4 nM | 0LN | C32 H38 N4 O5 S | CN1CCCCN(S.... |
89 | 2GC8 | ic50 = 3.1 uM | 885 | C12 H15 Cl N2 O4 S | Cc1cc(c(cc.... |
90 | 4IH6 | Kd = 18 uM | 1EP | C17 H24 N2 O2 | CC(C)[C@H].... |
91 | 1GX5 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
92 | 3H59 | - | H59 | C26 H30 F N3 O6 S2 | CCC(C)(C)[.... |
93 | 3Q0Z | - | 23E | C38 H38 N4 O5 | c1ccc2c(c1.... |
94 | 1NHU | Ki = 2.2 uM | 153 | C24 H18 Cl2 F3 N O3 | c1ccc(cc1).... |
95 | 1GX6 | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
96 | 3U4O | ic50 = 0.053 uM | 08E | C20 H15 Cl N4 O3 | c1cc2c(cc1.... |
97 | 3E51 | ic50 = 0.014 uM | N35 | C21 H28 N6 O6 S2 | CC(C)CCN1C.... |
98 | 4JU4 | ic50 = 0.34 uM | 1O3 | C19 H13 Br F N O5 S | c1ccc(cc1).... |
99 | 2GIQ | ic50 = 131 nM | NN2 | C21 H18 F N3 O4 S | c1ccc2c(c1.... |
100 | 2FVC | ic50 = 32 nM | 888 | C21 H21 N3 O4 S | CC(C)CCN1c.... |
101 | 3BR9 | ic50 = 0.062 uM | DEY | C23 H25 N5 O6 S2 | CC(C)CCN1C.... |
102 | 6MVP | - | K4S | C26 H24 B F N2 O6 S | B(c1ccc(cc.... |
103 | 5TRI | - | 7HM | C22 H16 Cl N O4 | c1ccc2c(c1.... |
104 | 3SKH | ic50 = 0.9 uM | 058 | C22 H15 Cl F N O2 | c1ccc(cc1).... |
105 | 1YVF | ic50 = 0.1 uM | PH7 | C22 H16 Br N O4 | c1ccc(cc1).... |
106 | 2BRL | - | POO | C31 H39 N3 O3 | C[N@]1CCC[.... |
107 | 2HAI | ic50 = 0.53 uM | PFI | C21 H27 F O4 | CC(C)Oc1cc.... |
108 | 3FRZ | - | AG0 | C29 H37 N5 O3 | CCc1cc(cc(.... |
109 | 4J02 | - | 1JE | C16 H17 Cl2 N O3 | CCC[C@]1(c.... |
110 | 3SKE | ic50 = 0.032 uM | 054 | C22 H14 F3 N5 O4 S | c1cc2c(cc1.... |
111 | 4KBI | - | 1C0 | C28 H25 B F2 N2 O6 S | B1(c2c(cc(.... |
112 | 3H5S | ic50 = 0.005 uM | H5S | C27 H30 F N3 O6 S2 | Cc1cc(ccc1.... |
113 | 3UPH | ic50 = 15 nM | 0C1 | C24 H19 F2 N3 O5 S | CS(=O)(=O).... |
114 | 4KHM | - | 1PV | C27 H25 B F2 N2 O6 S | B(c1ccc(cc.... |
115 | 4KHR | - | 1PV | C27 H25 B F2 N2 O6 S | B(c1ccc(cc.... |
116 | 3HKW | Kd = 80 nM | IX6 | C30 H32 F N3 O6 S | Cc1c(nc(o1.... |
117 | 6MVO | - | K4P | C27 H23 B Cl F N2 O6 S | B1(c2c(cc(.... |
118 | 2XI3 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
119 | 3QGI | - | 33F | C29 H30 F6 N6 O6 S | CC[C@H](C).... |
120 | 3QGH | - | 63F | C28 H26 F6 N6 O6 S | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4WTM | - | C C | n/a | n/a |
2 | 4WTK | - | CDP | C9 H15 N3 O11 P2 | C1=CN(C(=O.... |
3 | 1YVX | ic50 = 8 uM | IPC | C22 H21 N O3 S | Cc1ccc(cc1.... |
4 | 1YVZ | ic50 = 4.4 uM | JPC | C21 H17 Cl2 N O3 S | CC(C)N(c1c.... |
5 | 4WTJ | - | A U C C | n/a | n/a |
6 | 4WTL | - | U A C C | n/a | n/a |
7 | 4JU6 | ic50 = 0.67 uM | 1O6 | C24 H29 N O4 | CC1CCC(CC1.... |
8 | 3UDL | - | KLI | C31 H26 F5 N5 O2 | CN1CCN(CC1.... |
9 | 3CJ5 | Kd = 0.46 uM | SX6 | C22 H30 Br N3 O4 | C[C@H]1C[C.... |
10 | 3SKA | ic50 = 0.017 uM | 053 | C21 H15 F3 N4 O3 | c1cc2c(cc1.... |
11 | 2JC0 | ic50 = 20 uM | 699 | C22 H22 F3 N O5 S | CC(C)C[C@].... |
12 | 5PZK | - | 2N5 | C20 H21 F N2 O5 S | CC(C)Oc1cc.... |
13 | 2GIR | ic50 = 140 nM | NN3 | C22 H27 N O3 S | CC1CCC(CC1.... |
14 | 3TYV | ic50 = 0.008 uM | HI3 | C25 H20 F3 N3 O4 S | Cc1cc2c(cc.... |
15 | 3H2L | - | YAK | C23 H23 F N4 O6 S2 | CS(=O)(=O).... |
16 | 4IH7 | Kd = 5.8 uM | 1ER | C15 H17 N O | CC(C)(C)c1.... |
17 | 3CIZ | - | SX1 | C7 H6 Br N O2 | c1cc(c(cc1.... |
18 | 4J06 | ic50 = 4.6 uM | 1JG | C11 H7 Br Cl N O4 S2 | c1cc(c(cc1.... |
19 | 3HKY | Kd = 2.3 nM | IX6 | C30 H32 F N3 O6 S | Cc1c(nc(o1.... |
20 | 3PHE | ic50 = 0.016 uM | C9A | C30 H29 Cl F N3 O5 S | CN1CCN(CC1.... |
21 | 3CJ2 | Kd = 14 uM | SX3 | C14 H19 Br N2 O | C[C@@H]1C[.... |
22 | 4J08 | ic50 = 0.22 uM | 1JH | C20 H17 N O5 S | Cc1ccc(cc1.... |
23 | 3BSA | - | 1PD | C21 H22 N6 O6 S2 | CC(C)CCN1C.... |
24 | 3LKH | ic50 = 0.8 uM | LT6 | C23 H29 F N2 O4 | CCCCN(C)C(.... |
25 | 2D3Z | Ki = 0.23 uM | FIH | C18 H14 F N O4 S2 | Cc1ccc(cc1.... |
26 | 3FQL | Kd = 0.071 uM | 79Z | C22 H23 F N2 O5 S | CNC(=O)c1c.... |
27 | 3CJ4 | Kd = 0.31 uM | SX5 | C18 H23 Br N2 O4 | C[C@@H]1C[.... |
28 | 4J0A | ic50 = 0.16 uM | 1JL | C20 H17 N O5 S | Cc1ccc(cc1.... |
29 | 3GYN | ic50 = 0.047 uM | B42 | C24 H34 N4 O6 S2 | CC(C)CC[C@.... |
30 | 4MKB | ic50 = 3 nM | 28V | C24 H27 N3 O4 S | CC(C)(C)c1.... |
31 | 4JVQ | ic50 = 0.63 uM | 1ML | C32 H36 N2 O6 | CC1CCC(CC1.... |
32 | 5PZL | - | 8XV | C23 H21 F N4 O6 S | c1cc2c(cc1.... |
33 | 2I1R | ic50 = 9.7 uM | VXR | C18 H15 F N6 O2 S | CCc1ccc(o1.... |
34 | 2D41 | Ki = 0.15 uM | SNH | C19 H17 N O5 S3 | Cc1ccc(c(c.... |
35 | 2WCX | ic50 = 0.025 uM | VGC | C20 H21 N O2 S | Cn1c2cc(sc.... |
36 | 2HWH | ic50 = 2 uM | RNA | C16 H14 N2 O4 S2 | Cc1ccc(cc1.... |
37 | 3H5U | ic50 = 0.003 uM | H5U | C24 H26 F N3 O6 S2 | CC(C)(C)[C.... |
38 | 6MVQ | - | K4M | C27 H21 B F2 N4 O4 | B(c1ccc(cc.... |
39 | 2DXS | ic50 = 0.046 uM | JTP | C27 H30 N2 O4 | CC(C)(C(=O.... |
40 | 3D5M | ic50 < 0.01 uM | 4MS | C24 H25 Cl F N3 O6 S2 | CC(C)(C)[C.... |
41 | 2YOJ | ic50 = 5 nM | 8Y6 | C25 H14 F2 N4 O5 | c1coc2c1c(.... |
42 | 4MIB | ic50 = 0.2 nM | 28M | C25 H32 N4 O4 S | CC(C)(C)c1.... |
43 | 4JJS | - | 1M9 | C25 H28 F3 N O4 | CC1CCC(CC1.... |
44 | 2D3U | Ki = 0.12 uM | CCT | C19 H14 N2 O4 S2 | Cc1ccccc1S.... |
45 | 4JU7 | ic50 = 0.67 uM | 1O6 | C24 H29 N O4 | CC1CCC(CC1.... |
46 | 3H98 | ic50 < 0.005 uM | B5P | C19 H22 N6 O6 S2 | CC(C)CCN1c.... |
47 | 6W4G | ic50 = 11.1 uM | SL4 | C23 H20 F N3 O4 S | CC(C)(C)[C.... |
48 | 4IH5 | Kd = 78 uM | 12R | C11 H10 N6 | c1ccc(cc1).... |
49 | 2HWI | ic50 = 3 uM | VRX | C18 H15 F N2 O4 S | CCc1ccc(o1.... |
50 | 4MKA | ic50 = 1 nM | 2AY | C26 H26 N2 O6 S | CC(C)(C)c1.... |
51 | 3VQS | ic50 = 0.0178 uM | JT1 | C28 H23 F7 N6 O4 S2 | c1cc(ccc1C.... |
52 | 2BRK | - | CMF | C27 H30 N2 O4 | c1ccc(cc1).... |
53 | 3CDE | ic50 < 0.01 uM | N3H | C21 H23 N5 O6 S3 | CC(C)CCN1C.... |
54 | 3CJ0 | - | SX2 | C9 H9 Br N2 O3 | c1cc(ncc1B.... |
55 | 6MVK | - | K4J | C28 H23 B F2 N2 O6 | B(c1ccc(cc.... |
56 | 3CVK | ic50 < 0.01 uM | N34 | C21 H29 N5 O6 S2 | CC(C)(C)CC.... |
57 | 4KAI | - | 1PV | C27 H25 B F2 N2 O6 S | B(c1ccc(cc.... |
58 | 4JU3 | ic50 = 0.085 uM | 1O1 | C21 H17 N O7 S | Cc1ccc(cc1.... |
59 | 4MK9 | ic50 = 9 nM | 28R | C24 H25 N3 O5 S | CC(C)(C)c1.... |
60 | 4KE5 | - | 1PV | C27 H25 B F2 N2 O6 S | B(c1ccc(cc.... |
61 | 3MF5 | ic50 = 0.042 uM | HJZ | C24 H24 O2 S | CC1CCC(CC1.... |
62 | 4KB7 | - | 690 | C29 H28 B F N2 O6 S | B1(c2ccccc.... |
63 | 5PZN | - | 8XP | C27 H25 F N2 O3 | CC(C)(C)NC.... |
64 | 4JJU | - | 1MB | C21 H12 F5 N3 O2 | c1cc(c(nc1.... |
65 | 1OS5 | Kd = 0.14 uM | NH1 | C29 H37 N O4 S | Cc1cc(c(cc.... |
66 | 3CO9 | - | 3MS | C20 H23 N5 O6 S2 | CC(C)CCN1C.... |
67 | 5CZB | ic50 = 0.0257 uM | 55W | C26 H26 N7 O4 P | Cc1ccc(c(c.... |
68 | 3CJ3 | ic50 = 57 uM | SX4 | C18 H18 Br Cl N2 O | c1ccc(c(c1.... |
69 | 3U4R | ic50 = 0.039 uM | 08F | C27 H23 Cl N6 O6 S2 | CS(=O)(=O).... |
70 | 3GNW | Kd = 0.79 nM | XNC | C34 H32 F N3 O5 S | Cc1cccc(n1.... |
71 | 4MK8 | ic50 = 1 nM | 28Q | C25 H30 N2 O4 S | CC(C)(C)c1.... |
72 | 5TRK | - | 7HH | C23 H19 Cl N2 O5 | c1ccc(cc1).... |
73 | 3HHK | ic50 = 6 nM | 77Z | C23 H26 N4 O6 S | CC(C)CCN1c.... |
74 | 3UPI | ic50 = 6 nM | 0C2 | C25 H21 F2 N3 O5 S | C[C@@H]1CO.... |
75 | 3D28 | ic50 = 1.4 uM | B34 | C21 H20 N2 O4 S | CC(C)[C@H].... |
76 | 4IZ0 | ic50 ~ 100 uM | 2BI | C10 H7 Cl3 N2 O3 S | Cc1cc(no1).... |
77 | 2O5D | ic50 = 7 uM | VR1 | C24 H19 F N4 O7 S2 | CCc1ccc(o1.... |
78 | 3CWJ | ic50 < 0.01 uM | 321 | C22 H24 N4 O6 S3 | CC(C)CCN1C.... |
79 | 3FQK | ic50 = 0.081 uM | 79Z | C22 H23 F N2 O5 S | CNC(=O)c1c.... |
80 | 2WHO | ic50 = 0.02 uM | VGI | C20 H15 Br N2 O3 | c1cc(cc(c1.... |
81 | 4EO6 | Kd = 0.002 uM | 0S2 | C22 H31 N O3 S | CC1CCC(CC1.... |
82 | 4EO8 | Kd = 0.007 uM | 0S3 | C21 H30 N2 O3 S | CC1CCC(CC1.... |
83 | 4TLR | ic50 = 0.003 uM | 33H | C24 H33 N O5 S | C[C@H](C[C.... |
84 | 4J04 | ic50 = 11 uM | 1JF | C13 H7 Cl4 N O4 S | c1cc(c(cc1.... |
85 | 3G86 | ic50 = 0.005 uM | T18 | C25 H19 F2 N3 O6 S2 | CS(=O)(=O).... |
86 | 3QGF | - | 46F | C24 H23 Cl F3 N5 O5 S | COc1ccc(cc.... |
87 | 2JC1 | ic50 = 3.8 uM | 698 | C24 H30 N2 O5 S | CC(C)C[C@].... |
88 | 4DRU | Kd = 2.4 nM | 0LN | C32 H38 N4 O5 S | CN1CCCCN(S.... |
89 | 2GC8 | ic50 = 3.1 uM | 885 | C12 H15 Cl N2 O4 S | Cc1cc(c(cc.... |
90 | 4IH6 | Kd = 18 uM | 1EP | C17 H24 N2 O2 | CC(C)[C@H].... |
91 | 1GX5 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
92 | 3H59 | - | H59 | C26 H30 F N3 O6 S2 | CCC(C)(C)[.... |
93 | 3Q0Z | - | 23E | C38 H38 N4 O5 | c1ccc2c(c1.... |
94 | 1NHU | Ki = 2.2 uM | 153 | C24 H18 Cl2 F3 N O3 | c1ccc(cc1).... |
95 | 1GX6 | - | UTP | C9 H15 N2 O15 P3 | C1=CN(C(=O.... |
96 | 3U4O | ic50 = 0.053 uM | 08E | C20 H15 Cl N4 O3 | c1cc2c(cc1.... |
97 | 3E51 | ic50 = 0.014 uM | N35 | C21 H28 N6 O6 S2 | CC(C)CCN1C.... |
98 | 4JU4 | ic50 = 0.34 uM | 1O3 | C19 H13 Br F N O5 S | c1ccc(cc1).... |
99 | 2GIQ | ic50 = 131 nM | NN2 | C21 H18 F N3 O4 S | c1ccc2c(c1.... |
100 | 2FVC | ic50 = 32 nM | 888 | C21 H21 N3 O4 S | CC(C)CCN1c.... |
101 | 3BR9 | ic50 = 0.062 uM | DEY | C23 H25 N5 O6 S2 | CC(C)CCN1C.... |
102 | 6MVP | - | K4S | C26 H24 B F N2 O6 S | B(c1ccc(cc.... |
103 | 5TRI | - | 7HM | C22 H16 Cl N O4 | c1ccc2c(c1.... |
104 | 3SKH | ic50 = 0.9 uM | 058 | C22 H15 Cl F N O2 | c1ccc(cc1).... |
105 | 1YVF | ic50 = 0.1 uM | PH7 | C22 H16 Br N O4 | c1ccc(cc1).... |
106 | 2BRL | - | POO | C31 H39 N3 O3 | C[N@]1CCC[.... |
107 | 2HAI | ic50 = 0.53 uM | PFI | C21 H27 F O4 | CC(C)Oc1cc.... |
108 | 3FRZ | - | AG0 | C29 H37 N5 O3 | CCc1cc(cc(.... |
109 | 4J02 | - | 1JE | C16 H17 Cl2 N O3 | CCC[C@]1(c.... |
110 | 3SKE | ic50 = 0.032 uM | 054 | C22 H14 F3 N5 O4 S | c1cc2c(cc1.... |
111 | 4KBI | - | 1C0 | C28 H25 B F2 N2 O6 S | B1(c2c(cc(.... |
112 | 3H5S | ic50 = 0.005 uM | H5S | C27 H30 F N3 O6 S2 | Cc1cc(ccc1.... |
113 | 3UPH | ic50 = 15 nM | 0C1 | C24 H19 F2 N3 O5 S | CS(=O)(=O).... |
114 | 4KHM | - | 1PV | C27 H25 B F2 N2 O6 S | B(c1ccc(cc.... |
115 | 4KHR | - | 1PV | C27 H25 B F2 N2 O6 S | B(c1ccc(cc.... |
116 | 3HKW | Kd = 80 nM | IX6 | C30 H32 F N3 O6 S | Cc1c(nc(o1.... |
117 | 6MVO | - | K4P | C27 H23 B Cl F N2 O6 S | B1(c2c(cc(.... |
118 | 2XI3 | - | GTP | C10 H16 N5 O14 P3 | c1nc2c(n1[.... |
119 | 3QGI | - | 33F | C29 H30 F6 N6 O6 S | CC[C@H](C).... |
120 | 3QGH | - | 63F | C28 H26 F6 N6 O6 S | c1cc(ccc1C.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 3D8 | 0.9705 |
2 | EMU | 0.9654 |
3 | H35 | 0.9618 |
4 | ZEA | 0.9575 |
5 | RE4 | 0.9537 |
6 | A4V | 0.9537 |
7 | QC1 | 0.9533 |
8 | ZIP | 0.9513 |
9 | FNA | 0.9470 |
10 | AUY | 0.9465 |
11 | HHV | 0.9465 |
12 | FUZ | 0.9461 |
13 | 0OP | 0.9455 |
14 | AOY | 0.9442 |
15 | BC3 | 0.9427 |
16 | B5A | 0.9420 |
17 | 848 | 0.9412 |
18 | CMG | 0.9378 |
19 | 3WK | 0.9367 |
20 | C4E | 0.9355 |
21 | 3WO | 0.9321 |
22 | 3WN | 0.9321 |
23 | B4L | 0.9304 |
24 | 0QV | 0.9300 |
25 | 1Q4 | 0.9299 |
26 | 4K2 | 0.9299 |
27 | 3AK | 0.9298 |
28 | UAY | 0.9297 |
29 | 9E3 | 0.9283 |
30 | HO6 | 0.9274 |
31 | NW1 | 0.9267 |
32 | AX5 | 0.9256 |
33 | 5ER | 0.9250 |
34 | WA2 | 0.9240 |
35 | NIY | 0.9229 |
36 | MBP | 0.9226 |
37 | LI7 | 0.9223 |
38 | 3IP | 0.9217 |
39 | AYS | 0.9211 |
40 | ZEZ | 0.9210 |
41 | MJW | 0.9206 |
42 | QUB | 0.9203 |
43 | RK4 | 0.9201 |
44 | 4WF | 0.9194 |
45 | UN4 | 0.9191 |
46 | 3B4 | 0.9189 |
47 | VJJ | 0.9183 |
48 | S0I | 0.9180 |
49 | SCE | 0.9180 |
50 | EVO | 0.9178 |
51 | AX4 | 0.9177 |
52 | 5AV | 0.9177 |
53 | EXG | 0.9175 |
54 | LI4 | 0.9169 |
55 | F0C | 0.9166 |
56 | C4F | 0.9164 |
57 | IM4 | 0.9164 |
58 | 4RG | 0.9159 |
59 | ONZ | 0.9159 |
60 | 4P8 | 0.9155 |
61 | L21 | 0.9152 |
62 | LJ4 | 0.9152 |
63 | RNK | 0.9152 |
64 | 3WJ | 0.9150 |
65 | WL3 | 0.9150 |
66 | IEE | 0.9146 |
67 | LJ1 | 0.9138 |
68 | ON1 | 0.9130 |
69 | HA6 | 0.9125 |
70 | 54F | 0.9124 |
71 | QTS | 0.9124 |
72 | G30 | 0.9122 |
73 | 9F8 | 0.9120 |
74 | 4VT | 0.9110 |
75 | 11X | 0.9109 |
76 | DE7 | 0.9100 |
77 | 2J5 | 0.9098 |
78 | MW5 | 0.9095 |
79 | 531 | 0.9092 |
80 | N1Y | 0.9088 |
81 | 50Q | 0.9086 |
82 | 536 | 0.9086 |
83 | GNW | 0.9085 |
84 | IAG | 0.9081 |
85 | CMU | 0.9081 |
86 | DIH | 0.9080 |
87 | GA2 | 0.9072 |
88 | P2L | 0.9070 |
89 | 4YE | 0.9070 |
90 | V15 | 0.9069 |
91 | 5E4 | 0.9065 |
92 | IM5 | 0.9064 |
93 | Q5M | 0.9061 |
94 | JTY | 0.9061 |
95 | QNI | 0.9053 |
96 | LVB | 0.9053 |
97 | LLG | 0.9052 |
98 | Q9P | 0.9047 |
99 | KUP | 0.9044 |
100 | BIE | 0.9044 |
101 | AX8 | 0.9041 |
102 | L3L | 0.9038 |
103 | 4JV | 0.9034 |
104 | ZYC | 0.9018 |
105 | CBE | 0.9012 |
106 | TH4 | 0.9010 |
107 | B23 | 0.9001 |
108 | CJZ | 0.9000 |
109 | NXB | 0.8998 |
110 | PW1 | 0.8996 |
111 | I0D | 0.8995 |
112 | AC2 | 0.8992 |
113 | TRP | 0.8987 |
114 | F91 | 0.8982 |
115 | 0H5 | 0.8981 |
116 | ELH | 0.8974 |
117 | CUH | 0.8972 |
118 | 1TD | 0.8970 |
119 | WCU | 0.8968 |
120 | 3IL | 0.8964 |
121 | ID8 | 0.8960 |
122 | FYJ | 0.8958 |
123 | ASE | 0.8958 |
124 | XIF XYP | 0.8954 |
125 | 6J5 | 0.8950 |
126 | BZM | 0.8948 |
127 | 96Z | 0.8947 |
128 | TYP | 0.8947 |
129 | AKD | 0.8946 |
130 | 6XC | 0.8946 |
131 | TPM | 0.8945 |
132 | 6C9 | 0.8942 |
133 | TQ3 | 0.8940 |
134 | AJD | 0.8938 |
135 | AP6 | 0.8929 |
136 | X2M | 0.8929 |
137 | TCW | 0.8929 |
138 | M77 | 0.8927 |
139 | JD7 | 0.8925 |
140 | QTV | 0.8923 |
141 | 15I | 0.8920 |
142 | S7D | 0.8919 |
143 | DYZ | 0.8918 |
144 | DBS | 0.8914 |
145 | OSB | 0.8908 |
146 | LFK | 0.8908 |
147 | SIJ | 0.8907 |
148 | S7V | 0.8906 |
149 | FC3 | 0.8903 |
150 | A4G | 0.8903 |
151 | PE2 | 0.8898 |
152 | IQP | 0.8897 |
153 | A6H | 0.8896 |
154 | SRE | 0.8894 |
155 | 8OB | 0.8893 |
156 | 6EO | 0.8892 |
157 | MQS | 0.8891 |
158 | H4B | 0.8889 |
159 | TOM | 0.8888 |
160 | DCN | 0.8887 |
161 | KTV | 0.8885 |
162 | TLF | 0.8885 |
163 | R9G | 0.8883 |
164 | G1N | 0.8882 |
165 | KTM | 0.8881 |
166 | XYP XIF | 0.8875 |
167 | 8CV | 0.8875 |
168 | M02 | 0.8872 |
169 | 6DQ | 0.8870 |
170 | HVE | 0.8866 |
171 | PXP | 0.8865 |
172 | PLP | 0.8865 |
173 | 56N | 0.8861 |
174 | 2KU | 0.8858 |
175 | M01 | 0.8858 |
176 | BZQ | 0.8856 |
177 | NFZ | 0.8855 |
178 | IOP | 0.8855 |
179 | 4ZF | 0.8854 |
180 | 7KB | 0.8851 |
181 | 7VF | 0.8851 |
182 | F9W | 0.8850 |
183 | 3IB | 0.8848 |
184 | 5PK | 0.8847 |
185 | NWD | 0.8845 |
186 | KYN | 0.8844 |
187 | 6FG | 0.8842 |
188 | 2LT | 0.8839 |
189 | C0Y | 0.8839 |
190 | 2L2 | 0.8839 |
191 | F5C | 0.8838 |
192 | NQ7 | 0.8836 |
193 | TLG | 0.8836 |
194 | GAT | 0.8834 |
195 | ZYV | 0.8834 |
196 | G6P | 0.8826 |
197 | P1Y | 0.8826 |
198 | CHQ | 0.8823 |
199 | HBI | 0.8822 |
200 | D4O | 0.8819 |
201 | RDV | 0.8819 |
202 | 7W7 | 0.8818 |
203 | 8OE | 0.8817 |
204 | 6J3 | 0.8816 |
205 | 4Z9 | 0.8813 |
206 | QS4 | 0.8812 |
207 | 3L1 | 0.8811 |
208 | KWB | 0.8810 |
209 | TOP | 0.8809 |
210 | 2SK | 0.8809 |
211 | 1BY | 0.8808 |
212 | NWL | 0.8807 |
213 | S8D | 0.8804 |
214 | 9X3 | 0.8804 |
215 | 34L | 0.8800 |
216 | 00G | 0.8799 |
217 | GO8 | 0.8798 |
218 | A51 | 0.8797 |
219 | 5P7 | 0.8796 |
220 | LTN | 0.8794 |
221 | PMP | 0.8792 |
222 | 5WN | 0.8792 |
223 | YE6 | 0.8792 |
224 | ADN | 0.8791 |
225 | FPL | 0.8786 |
226 | H2B | 0.8784 |
227 | IBC | 0.8783 |
228 | TCL | 0.8781 |
229 | 3JC | 0.8780 |
230 | NPZ | 0.8780 |
231 | 9W5 | 0.8777 |
232 | 92O | 0.8773 |
233 | BTN | 0.8773 |
234 | ZYW | 0.8772 |
235 | TQ4 | 0.8771 |
236 | T34 | 0.8770 |
237 | 4P9 | 0.8770 |
238 | B21 | 0.8769 |
239 | JA3 | 0.8769 |
240 | 69K | 0.8769 |
241 | 4Z1 | 0.8766 |
242 | 94M | 0.8766 |
243 | 22F | 0.8766 |
244 | 5O5 | 0.8764 |
245 | YIH | 0.8764 |
246 | TCC | 0.8762 |
247 | X0T | 0.8760 |
248 | MJ5 | 0.8758 |
249 | 9BF | 0.8758 |
250 | 0OM | 0.8757 |
251 | D4G | 0.8754 |
252 | AZY | 0.8754 |
253 | 2LX | 0.8751 |
254 | 7PJ | 0.8746 |
255 | 8P3 | 0.8745 |
256 | JF5 | 0.8741 |
257 | DMB | 0.8741 |
258 | IKY | 0.8736 |
259 | IQU | 0.8730 |
260 | DAH | 0.8730 |
261 | 6J9 | 0.8729 |
262 | 5WS | 0.8728 |
263 | 1YO | 0.8727 |
264 | 7NU | 0.8726 |
265 | DTR | 0.8725 |
266 | 67Y | 0.8725 |
267 | 3G1 | 0.8724 |
268 | JO8 | 0.8723 |
269 | 4EU | 0.8722 |
270 | SX3 | 0.8721 |
271 | HX8 | 0.8720 |
272 | 1UA | 0.8720 |
273 | 3LJ | 0.8719 |
274 | 22T | 0.8718 |
275 | 6Q3 | 0.8717 |
276 | BDI | 0.8717 |
277 | JPB | 0.8716 |
278 | JMS | 0.8715 |
279 | 2BI | 0.8714 |
280 | FT6 | 0.8713 |
281 | 7ZL | 0.8709 |
282 | 6EN | 0.8709 |
283 | 7XX | 0.8706 |
284 | INI | 0.8705 |
285 | SNR | 0.8703 |
286 | CUQ | 0.8703 |
287 | 6HP | 0.8702 |
288 | TOH | 0.8700 |
289 | 0RU | 0.8699 |
290 | MUK | 0.8695 |
291 | 7PS | 0.8695 |
292 | QRP | 0.8694 |
293 | MXD | 0.8692 |
294 | 5VU | 0.8692 |
295 | JNW | 0.8691 |
296 | 4AB | 0.8690 |
297 | H48 | 0.8690 |
298 | C9M | 0.8687 |
299 | 1A6 | 0.8687 |
300 | O2Y | 0.8687 |
301 | BIO | 0.8686 |
302 | NKI | 0.8685 |
303 | BGP | 0.8682 |
304 | BG6 | 0.8678 |
305 | CUT | 0.8678 |
306 | PZX | 0.8677 |
307 | 2L1 | 0.8677 |
308 | C0W | 0.8674 |
309 | 3QO | 0.8673 |
310 | MUX | 0.8673 |
311 | PMM | 0.8672 |
312 | MMS | 0.8672 |
313 | QDR | 0.8670 |
314 | NX5 | 0.8669 |
315 | DHC | 0.8665 |
316 | M2E | 0.8662 |
317 | 4BX | 0.8662 |
318 | M6D | 0.8661 |
319 | PLR | 0.8661 |
320 | BTI | 0.8661 |
321 | M6P | 0.8658 |
322 | XI7 | 0.8658 |
323 | BNY | 0.8652 |
324 | EAJ | 0.8649 |
325 | GI4 | 0.8648 |
326 | TQL | 0.8648 |
327 | NZ4 | 0.8647 |
328 | CQW | 0.8644 |
329 | 6HO | 0.8639 |
330 | IQS | 0.8632 |
331 | 1HR | 0.8628 |
332 | R75 | 0.8626 |
333 | 2DL | 0.8625 |
334 | C9E | 0.8624 |
335 | EZN | 0.8623 |
336 | JXQ | 0.8622 |
337 | Q2R | 0.8618 |
338 | 3SU | 0.8615 |
339 | N2Y | 0.8615 |
340 | VJP | 0.8613 |
341 | FB4 | 0.8608 |
342 | DJL | 0.8605 |
343 | YUG | 0.8604 |
344 | HLP | 0.8604 |
345 | JF8 | 0.8604 |
346 | A8K | 0.8603 |
347 | GAL PHB | 0.8603 |
348 | U8K | 0.8602 |
349 | 22L | 0.8602 |
350 | 5WM | 0.8599 |
351 | CKI | 0.8595 |
352 | D8Q | 0.8591 |
353 | 6T5 | 0.8579 |
354 | DBE | 0.8576 |
355 | VXP | 0.8576 |
356 | 4R1 | 0.8571 |
357 | 4Y2 | 0.8568 |
358 | YOF | 0.8556 |
359 | L12 | 0.8550 |
360 | 1BD | 0.8546 |
361 | QEI | 0.8525 |
362 | AOJ | 0.8519 |
This union binding pocket(no: 1) in the query (biounit: 4mib.bio2) has 65 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4mib.bio1) has 79 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |