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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 | 94X | 0.9349 |
2 | OLU | 0.9255 |
3 | 0K7 | 0.9212 |
4 | 5VU | 0.9210 |
5 | GB5 | 0.9195 |
6 | GHQ | 0.9183 |
7 | JMG | 0.9180 |
8 | 4FP | 0.9146 |
9 | 6FG | 0.9136 |
10 | 5H6 | 0.9133 |
11 | BVS | 0.9123 |
12 | 0H9 | 0.9108 |
13 | S0F | 0.9107 |
14 | IPO | 0.9107 |
15 | 1XS | 0.9106 |
16 | 0XR | 0.9105 |
17 | 36M | 0.9100 |
18 | Y3L | 0.9089 |
19 | 5TT | 0.9087 |
20 | 7KE | 0.9085 |
21 | EQW | 0.9082 |
22 | 8CC | 0.9080 |
23 | A9B | 0.9075 |
24 | FHV | 0.9071 |
25 | 2PK | 0.9060 |
26 | 4BX | 0.9051 |
27 | 27K | 0.9049 |
28 | 4AU | 0.9043 |
29 | 2PV | 0.9018 |
30 | D2G | 0.9016 |
31 | 8YH | 0.9015 |
32 | D1G | 0.9007 |
33 | PUE | 0.9006 |
34 | HL6 | 0.9005 |
35 | 0NX | 0.8999 |
36 | KLE | 0.8991 |
37 | G14 | 0.8988 |
38 | TRP | 0.8986 |
39 | 6MW | 0.8979 |
40 | XI7 | 0.8979 |
41 | EEK | 0.8976 |
42 | A5H | 0.8974 |
43 | 1Q1 | 0.8972 |
44 | MFY | 0.8966 |
45 | SB7 | 0.8964 |
46 | OJD | 0.8964 |
47 | U13 | 0.8958 |
48 | 5O6 | 0.8954 |
49 | 5ER | 0.8952 |
50 | S0D | 0.8949 |
51 | 6C8 | 0.8948 |
52 | IS2 | 0.8944 |
53 | HC4 | 0.8944 |
54 | TYR | 0.8942 |
55 | 1HR | 0.8937 |
56 | 6C4 | 0.8933 |
57 | GB4 | 0.8931 |
58 | TPM | 0.8930 |
59 | 5R8 | 0.8927 |
60 | NK5 | 0.8925 |
61 | R9J | 0.8920 |
62 | ENO | 0.8915 |
63 | 3SU | 0.8913 |
64 | MJW | 0.8911 |
65 | 3IP | 0.8910 |
66 | IJ4 | 0.8909 |
67 | DA2 | 0.8908 |
68 | IC9 | 0.8908 |
69 | N9M | 0.8901 |
70 | S7S | 0.8900 |
71 | 5TO | 0.8894 |
72 | D9Z | 0.8891 |
73 | XRS | 0.8887 |
74 | 5LD | 0.8885 |
75 | 37E | 0.8883 |
76 | NAL | 0.8879 |
77 | DAH | 0.8877 |
78 | E3X | 0.8877 |
79 | XCG | 0.8877 |
80 | 1PS | 0.8867 |
81 | TMG | 0.8863 |
82 | KYN | 0.8861 |
83 | ODK | 0.8859 |
84 | GOE | 0.8857 |
85 | GVY | 0.8855 |
86 | P7V | 0.8855 |
87 | 3VQ | 0.8849 |
88 | KPV | 0.8849 |
89 | F18 | 0.8846 |
90 | 4YZ | 0.8843 |
91 | ZZA | 0.8843 |
92 | P81 | 0.8841 |
93 | 68B | 0.8841 |
94 | 5PV | 0.8840 |
95 | 5KJ | 0.8836 |
96 | L03 | 0.8833 |
97 | 1EB | 0.8833 |
98 | 28A | 0.8831 |
99 | BSA | 0.8826 |
100 | ALY | 0.8825 |
101 | YIP | 0.8824 |
102 | 848 | 0.8821 |
103 | WV7 | 0.8820 |
104 | NFZ | 0.8816 |
105 | ERZ | 0.8815 |
106 | NPX | 0.8814 |
107 | XRX | 0.8814 |
108 | Z70 | 0.8813 |
109 | F63 | 0.8811 |
110 | 6C9 | 0.8806 |
111 | FCW | 0.8804 |
112 | C82 | 0.8803 |
113 | I2E | 0.8801 |
114 | DHC | 0.8800 |
115 | JF5 | 0.8799 |
116 | 11X | 0.8797 |
117 | C53 | 0.8796 |
118 | 92G | 0.8795 |
119 | 6ZX | 0.8792 |
120 | LVD | 0.8790 |
121 | 1FE | 0.8787 |
122 | HDI | 0.8781 |
123 | RA7 | 0.8780 |
124 | ZZU | 0.8776 |
125 | S0W | 0.8775 |
126 | DTY | 0.8775 |
127 | HXY | 0.8769 |
128 | F90 | 0.8766 |
129 | SNV | 0.8766 |
130 | IJ6 | 0.8764 |
131 | S0A | 0.8763 |
132 | 78Y | 0.8755 |
133 | 2D2 | 0.8751 |
134 | GJG | 0.8750 |
135 | D53 | 0.8749 |
136 | 3VW | 0.8744 |
137 | FZM | 0.8743 |
138 | FMQ | 0.8735 |
139 | 4UM | 0.8733 |
140 | EQA | 0.8731 |
141 | PH3 | 0.8731 |
142 | RES | 0.8730 |
143 | 4ZD | 0.8724 |
144 | L15 | 0.8724 |
145 | D1Y | 0.8723 |
146 | DPN | 0.8721 |
147 | 1BW | 0.8720 |
148 | PQT | 0.8720 |
149 | FZ0 | 0.8720 |
150 | T03 | 0.8719 |
151 | TOH | 0.8717 |
152 | N9J | 0.8706 |
153 | LZ5 | 0.8702 |
154 | D8Q | 0.8701 |
155 | RKV | 0.8694 |
156 | 250 | 0.8692 |
157 | 795 | 0.8690 |
158 | SB9 | 0.8688 |
159 | PHE | 0.8687 |
160 | A6Z | 0.8682 |
161 | 5WK | 0.8682 |
162 | EP1 | 0.8676 |
163 | HRG | 0.8675 |
164 | 4Z1 | 0.8671 |
165 | HL4 | 0.8664 |
166 | 3CX | 0.8659 |
167 | D3G | 0.8657 |
168 | GNW | 0.8653 |
169 | TZP | 0.8651 |
170 | EGV | 0.8649 |
171 | PLP | 0.8648 |
172 | HPP | 0.8641 |
173 | QH3 | 0.8639 |
174 | SYD | 0.8637 |
175 | PPT | 0.8636 |
176 | DUR | 0.8635 |
177 | BZS | 0.8634 |
178 | RGP | 0.8634 |
179 | SOJ | 0.8632 |
180 | EPE | 0.8630 |
181 | 2JX | 0.8628 |
182 | 00G | 0.8627 |
183 | J4K | 0.8611 |
184 | FY8 | 0.8604 |
185 | PLR | 0.8602 |
186 | AHC | 0.8602 |
187 | 7R4 | 0.8601 |
188 | 2OR | 0.8600 |
189 | NFA | 0.8599 |
190 | P1J | 0.8596 |
191 | N2Y | 0.8596 |
192 | 3XH | 0.8591 |
193 | 6J5 | 0.8591 |
194 | 4FE | 0.8589 |
195 | ARG | 0.8586 |
196 | SSY | 0.8585 |
197 | PPY | 0.8583 |
198 | 6FR | 0.8573 |
199 | JCZ | 0.8571 |
200 | TYE | 0.8567 |
201 | ZEC | 0.8566 |
202 | FT6 | 0.8561 |
203 | A7Q | 0.8557 |
204 | 4HB | 0.8555 |
205 | 657 | 0.8549 |
206 | YOF | 0.8540 |
207 | R9V | 0.8535 |
208 | JVD | 0.8532 |
209 | SZ7 | 0.8523 |
210 | EAT | 0.8502 |
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 |