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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 14 families. | |||||
1 | 2QYN | ic50 = 0.57 uM | NPV | C21 H13 N3 O4 | c1cc(cc(c1.... |
2 | 6F8R | ic50 = 20 uM | CZK | C22 H31 N3 O4 | COc1ccc(cc.... |
3 | 6BOJ | - | E31 | C21 H20 Cl N3 O | CCc1cc(nc(.... |
4 | 3SL6 | ic50 = 0.29 uM | JN8 | C22 H27 N3 O4 S2 | CCNC(=O)N1.... |
5 | 1OYN | ic50 = 0.55 uM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
6 | 6F8X | ic50 = 17 uM | D08 | C21 H30 N2 O6 | COc1ccc(cc.... |
7 | 1Y2B | ic50 = 82 uM | DEE | C8 H12 N2 O2 | CCOC(=O)c1.... |
8 | 1TBB | - | ROL | C16 H21 N O3 | COc1ccc(cc.... |
9 | 4W1O | - | 3GJ | C19 H17 Cl2 N3 O4 | CCc1cc(on1.... |
10 | 5LBO | - | 6M5 | C33 H40 N6 O4 | COc1ccc(cc.... |
11 | 1ZKN | - | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
12 | 3SL4 | ic50 = 0.027 uM | JN4 | C21 H21 N3 O4 S | C=CNC(=O)N.... |
13 | 1XOQ | ic50 = 0.68 nM | ROF | C17 H14 Cl2 F2 N2 O3 | c1cc(c(cc1.... |
14 | 1Y2E | ic50 = 0.16 uM | 5DE | C14 H17 N3 O2 | CCOC(=O)c1.... |
15 | 1PTW | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
16 | 5WQA | ic50 = 0.011 uM | J20 | C36 H26 O5 | COc1ccc(cc.... |
17 | 1Y2D | ic50 = 2 uM | 4DE | C15 H18 N2 O3 | CCOC(=O)c1.... |
18 | 6F8W | ic50 = 23 uM | D0E | C22 H29 N3 O4 | COc1ccc(cc.... |
19 | 1XON | ic50 = 0.021 nM | PIL | C18 H18 Cl2 N2 O3 | COc1ccc(cc.... |
20 | 1TB7 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
21 | 6FDC | ic50 = 2.3 uM | DD5 | C22 H29 F2 N3 O4 | c1cc(c(cc1.... |
22 | 1XOR | ic50 = 0.39 uM | ZAR | C12 H10 F2 N2 O3 | COc1cc(ccc.... |
23 | 3G4K | ic50 = 288 nM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
24 | 1Y2C | ic50 = 0.27 uM | 3DE | C14 H17 N2 O2 | CCOC(=O)c1.... |
25 | 2FM0 | ic50 = 0.4 nM | M98 | C23 H18 F8 N2 O4 S | c1cc(c[n+].... |
26 | 6F8T | ic50 = 7 uM | CZT | C22 H34 N2 O5 | C[C@@H]1CN.... |
27 | 1Y2K | ic50 = 0.021 uM | 7DE | C14 H15 N3 O4 | CCOC(=O)c1.... |
28 | 1XOM | ic50 = 0.011 uM | CIO | C20 H25 N O4 | COc1ccc(cc.... |
29 | 2PW3 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
30 | 1Q9M | ic50 = 0.33 uM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
31 | 4WCU | ic50 = 3 nM | 3KQ | C24 H22 Cl2 N2 O5 | COc1ccc(c(.... |
32 | 6F8U | ic50 = 0.8 uM | CZQ | C21 H28 F2 N2 O5 | C[C@@H]1CN.... |
33 | 2FM5 | ic50 = 43 nM | M99 | C23 H18 F8 N2 O4 S | c1cc(c[n+].... |
34 | 3G4I | - | D71 | C19 H13 N5 O4 | c1cc(cc(c1.... |
35 | 6F6U | ic50 = 16 uM | CV8 | C21 H30 N2 O5 | C[C@@H]1CN.... |
36 | 6F8V | ic50 = 16 uM | D0B | C24 H33 N3 O4 | C[C@@H]1CN.... |
37 | 3G4L | ic50 = 5.8 nM | ROF | C17 H14 Cl2 F2 N2 O3 | c1cc(c(cc1.... |
38 | 3G58 | ic50 = 5 nM | 988 | C21 H15 N3 O2 | c1cc(cc(c1.... |
39 | 5OHJ | ic50 = 0.0378 nM | 9VE | C32 H34 Cl2 F2 N3 O8 S | CN(C)C(=O).... |
40 | 5LAQ | Ki = 0.63 nM | 6M5 | C33 H40 N6 O4 | COc1ccc(cc.... |
41 | 2QYK | ic50 = 3.3 uM | NPV | C21 H13 N3 O4 | c1cc(cc(c1.... |
42 | 3GWT | ic50 = 7.94 pM | 066 | C27 H26 N4 O5 S | Cc1cc(cc2c.... |
43 | 3WD9 | ic50 = 8.3 nM | QPC | C24 H27 N5 O2 | CC(C)(C)CN.... |
44 | 4KP6 | ic50 = 0.87 nM | 1S1 | C12 H17 N9 | CCC(CC)(C#.... |
45 | 4NW7 | ic50 = 237 nM | 2O5 | C20 H17 Cl N4 O2 | c1cc(cc(c1.... |
46 | 3FRG | ic50 = 4 nM | SK4 | C18 H17 N3 O4 S | COc1cccc(c.... |
47 | 1RO9 | - | 8BR | C10 H13 Br N5 O7 P | c1nc(c2c(n.... |
48 | 1XOT | ic50 = 3.8 uM | VDN | C23 H32 N6 O4 S | CCCc1nc(c2.... |
49 | 1XLX | ic50 = 0.025 uM | CIO | C20 H25 N O4 | COc1ccc(cc.... |
50 | 3O57 | ic50 = 79.4 pM | ZG2 | C29 H34 N6 O3 | CCn1c2c(cn.... |
51 | 3HMV | - | HBT | C17 H17 N3 O4 S | C[C@H]1CCc.... |
52 | 3O56 | ic50 = 794 pM | ZG1 | C21 H27 N7 O3 | CCn1c2c(cn.... |
53 | 1XLZ | ic50 = 0.96 uM | FIL | C15 H20 N2 O4 | C/C(=NOC(=.... |
54 | 1XN0 | ic50 = 0.57 uM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
55 | 1TB5 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
56 | 3D3P | ic50 = 3.1 nM | 20A | C21 H25 N5 O2 | CCn1c2c(cn.... |
57 | 3W5E | ic50 = 11 nM | NVW | C25 H28 N4 O3 S | CC(C)(C)NC.... |
58 | 4MYQ | ic50 = 32 nM | 19T | C19 H18 Cl N3 O2 S | CCc1c(nc(n.... |
59 | 2QYL | ic50 = 0.65 uM | NPV | C21 H13 N3 O4 | c1cc(cc(c1.... |
60 | 1XOS | ic50 = 20 uM | VIA | C22 H30 N6 O4 S | CCCc1c2c(n.... |
61 | 1XM6 | ic50 = 0.42 uM | 5RM | C14 H19 N O4 | CCCOc1cc(c.... |
62 | 1RO6 | Ki ~ 375 nM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
63 | 1Y2H | ic50 = 0.056 uM | 6DE | C14 H15 Cl N2 O2 | CCOC(=O)c1.... |
64 | 1ROR | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
65 | 3G4G | ic50 = 19 nM | D71 | C19 H13 N5 O4 | c1cc(cc(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 2CHM | ic50 = 5.5 nM | 3P4 | C23 H29 N6 O3 | CCc1c2c([n.... |
2 | 3TGG | - | 0H3 | C23 H31 N5 O4 | CCCOCCN1c2.... |
3 | 3HDZ | ic50 = 51 nM | PD6 | C18 H19 N3 O | CCCCN1C=CC.... |
4 | 3TGE | ic50 = 0.07 nM | TGE | C24 H32 N6 O4 | CCCOCCN1c2.... |
5 | 3B2R | - | VDN | C23 H32 N6 O4 S | CCCc1nc(c2.... |
6 | 2H44 | ic50 = 1.7 uM | 7CA | C27 H32 O10 | C[C@H]1[C@.... |
7 | 2H42 | ic50 = 2.4 nM | VIA | C22 H30 N6 O4 S | CCCc1c2c(n.... |
8 | 1T9S | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
9 | 4MD6 | ic50 = 17 nM | 24E | C22 H15 N O3 S | c1ccc2c(c1.... |
10 | 1UHO | Kd ~ 0.6 nM | VDN | C23 H32 N6 O4 S | CCCc1nc(c2.... |
11 | 1UDT | Kd ~ 0.5 nM | VIA | C22 H30 N6 O4 S | CCCc1c2c(n.... |
12 | 1RKP | - | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
13 | 4IA0 | ic50 = 77 nM | 5BB | C25 H37 Br N4 O4 S | CCCCCCCCC1.... |
14 | 3SIE | ic50 = 13.3 nM | 5BO | C20 H27 Br N4 O4 S | CCCOc1ccc(.... |
15 | 3HC8 | ic50 = 2.9 nM | PD4 | C24 H32 N6 O4 | CCCOCCN1c2.... |
16 | 1XP0 | ic50 = 0.001 uM | VDN | C23 H32 N6 O4 S | CCCc1nc(c2.... |
17 | 1XOZ | ic50 = 0.0012 uM | CIA | C22 H19 N3 O4 | CN1CC(=O)N.... |
18 | 4I9Z | ic50 = 18.2 nM | 5BA | C23 H31 Br N4 O3 | CCCOc1ccc(.... |
19 | 1TBF | - | VIA | C22 H30 N6 O4 S | CCCc1c2c(n.... |
20 | 4OEX | Kd = 0.00000145 M | 5EO | C20 H28 N4 O4 S | CCCOc1ccc(.... |
21 | 4G2Y | ic50 = 1.6 nM | NI5 | C21 H28 N4 O4 S | CCCOc1ccc(.... |
22 | 4OEW | Kd = 0.00000145 M | 5IO | C20 H27 I N4 O4 S | CCCOc1ccc(.... |
23 | 1Y2B | ic50 = 82 uM | DEE | C8 H12 N2 O2 | CCOC(=O)c1.... |
24 | 1TBB | - | ROL | C16 H21 N O3 | COc1ccc(cc.... |
25 | 4W1O | - | 3GJ | C19 H17 Cl2 N3 O4 | CCc1cc(on1.... |
26 | 5LBO | - | 6M5 | C33 H40 N6 O4 | COc1ccc(cc.... |
27 | 1ZKN | - | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
28 | 3SL4 | ic50 = 0.027 uM | JN4 | C21 H21 N3 O4 S | C=CNC(=O)N.... |
29 | 1XOQ | ic50 = 0.68 nM | ROF | C17 H14 Cl2 F2 N2 O3 | c1cc(c(cc1.... |
30 | 1Y2E | ic50 = 0.16 uM | 5DE | C14 H17 N3 O2 | CCOC(=O)c1.... |
31 | 1PTW | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
32 | 5WQA | ic50 = 0.011 uM | J20 | C36 H26 O5 | COc1ccc(cc.... |
33 | 1Y2D | ic50 = 2 uM | 4DE | C15 H18 N2 O3 | CCOC(=O)c1.... |
34 | 6F8W | ic50 = 23 uM | D0E | C22 H29 N3 O4 | COc1ccc(cc.... |
35 | 1XON | ic50 = 0.021 nM | PIL | C18 H18 Cl2 N2 O3 | COc1ccc(cc.... |
36 | 1TB7 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
37 | 6FDC | ic50 = 2.3 uM | DD5 | C22 H29 F2 N3 O4 | c1cc(c(cc1.... |
38 | 1XOR | ic50 = 0.39 uM | ZAR | C12 H10 F2 N2 O3 | COc1cc(ccc.... |
39 | 3G4K | ic50 = 288 nM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
40 | 1Y2C | ic50 = 0.27 uM | 3DE | C14 H17 N2 O2 | CCOC(=O)c1.... |
41 | 2FM0 | ic50 = 0.4 nM | M98 | C23 H18 F8 N2 O4 S | c1cc(c[n+].... |
42 | 6F8T | ic50 = 7 uM | CZT | C22 H34 N2 O5 | C[C@@H]1CN.... |
43 | 1Y2K | ic50 = 0.021 uM | 7DE | C14 H15 N3 O4 | CCOC(=O)c1.... |
44 | 1XOM | ic50 = 0.011 uM | CIO | C20 H25 N O4 | COc1ccc(cc.... |
45 | 2PW3 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
46 | 1Q9M | ic50 = 0.33 uM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
47 | 4WCU | ic50 = 3 nM | 3KQ | C24 H22 Cl2 N2 O5 | COc1ccc(c(.... |
48 | 6F8U | ic50 = 0.8 uM | CZQ | C21 H28 F2 N2 O5 | C[C@@H]1CN.... |
49 | 2FM5 | ic50 = 43 nM | M99 | C23 H18 F8 N2 O4 S | c1cc(c[n+].... |
50 | 3G4I | - | D71 | C19 H13 N5 O4 | c1cc(cc(c1.... |
51 | 6F6U | ic50 = 16 uM | CV8 | C21 H30 N2 O5 | C[C@@H]1CN.... |
52 | 6F8V | ic50 = 16 uM | D0B | C24 H33 N3 O4 | C[C@@H]1CN.... |
53 | 3G4L | ic50 = 5.8 nM | ROF | C17 H14 Cl2 F2 N2 O3 | c1cc(c(cc1.... |
54 | 4G2J | ic50 = 14 nM | 0WF | C21 H25 N5 O2 | C[C@H](C1=.... |
55 | 3K3H | - | BYE | C15 H12 Cl F3 N4 O | C[C@@H](CC.... |
56 | 3DY8 | - | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
57 | 3DYN | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
58 | 3DYQ | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
59 | 3JSW | ic50 = 66 nM | JAR | C20 H25 N5 O | C[C@@H]1C[.... |
60 | 3DYS | - | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
61 | 4E90 | ic50 = 8 nM | 7RG | C20 H25 N7 O2 | C[C@@H]1C[.... |
62 | 5U7K | ic50 = 7.1 nM | 7Y1 | C20 H22 N6 O | CCCOc1cncc.... |
63 | 6CYD | ic50 = 2 nM | FKG | C16 H15 F3 N4 O2 | CC1=Nc2c(c.... |
64 | 5TZA | ic50 = 0.001 uM | 7OG | C22 H21 N5 O | Cc1cc(n2c(.... |
65 | 6C7G | ic50 = 0.00000001 M | EOY | C31 H34 Cl N5 O2 | Cc1c2nnc(n.... |
66 | 5VP0 | ic50 = 0.61 nM | 9GJ | C19 H18 F4 N4 O5 | COC[C@H](c.... |
67 | 5U00 | Kd = 0.002 uM | 7OV | C18 H15 F3 I N5 O | Cc1cc(n2c(.... |
68 | 5U7I | ic50 = 66.6 nM | 7XS | C20 H25 N5 O2 | CC(C)Cc1c2.... |
69 | 5U7J | ic50 = 389.6 nM | 7XV | C18 H22 N4 O2 | CC(C)Cc1nn.... |
70 | 5XKM | ic50 = 24 nM | 87R | C18 H17 F3 N4 O2 | CC[C@H](c1.... |
71 | 6B98 | Ki = 22.4 uM | D07 | C7 H8 Cl N5 | CNc1c2cnn(.... |
72 | 6B96 | Ki = 14.3 nM | CZV | C15 H11 Cl F3 N5 | c1cc(ccc1C.... |
73 | 5U7D | ic50 = 0.5 nM | 19F | C27 H32 N4 O4 | Cc1c2n(c(n.... |
74 | 5TZX | ic50 = 0.052 uM | 7OY | C18 H15 Cl F3 N5 O | Cc1cc(n2c(.... |
75 | 6C7I | ic50 = 0.00000001 M | EP7 | C22 H22 Cl N5 O2 | Cc1c2nnc(n.... |
76 | 6CYB | ic50 = 0.96 nM | FKV | C16 H12 F6 N4 O2 | C[C@@H](c1.... |
77 | 6B97 | Ki = 0.237 uM | CZY | C15 H13 Cl F3 N5 | C[C@H](c1c.... |
78 | 5TZZ | ic50 = 0.008 uM | 7OJ | C18 H15 Br F3 N5 O | Cc1cc(n2c(.... |
79 | 5VP1 | ic50 = 51 nM | 9GA | C22 H22 F3 N7 O3 | Cc1cn2c(c(.... |
80 | 4HTX | ic50 = 4.7 nM | 19F | C27 H32 N4 O4 | Cc1c2n(c(n.... |
81 | 6EZF | - | C6Z | C11 H8 Cl2 N2 S | c1cc(c(cc1.... |
82 | 5TZ3 | ic50 = 0.14 uM | 7OM | C22 H22 N6 O | Cc1cc(n2c(.... |
83 | 5TZH | ic50 = 0.679 uM | 7OP | C18 H16 F3 N5 O | Cc1cc(n2c(.... |
84 | 5TZC | ic50 = 0.008 uM | 7OJ | C18 H15 Br F3 N5 O | Cc1cc(n2c(.... |
85 | 3ITU | ic50 = 40 uM | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
86 | 6C7F | ic50 = 0.00000001 M | EOS | C22 H22 Cl N5 O2 | Cc1c2nnc(n.... |
87 | 6C7E | ic50 = 0.00000001 M | EOG | C18 H14 Cl N5 O | Cc1c2nnc(n.... |
88 | 6C7J | ic50 = 0.00000001 M | EPV | C25 H28 Cl N5 O2 | Cc1c2nnc(n.... |
89 | 4JIB | ic50 = 45 nM | 1L6 | C23 H28 N6 O2 | CCC(C)(C)c.... |
90 | 5U7L | ic50 = 4.9 nM | 7Y4 | C24 H30 N8 | CCc1ccc(cc.... |
91 | 4D09 | ic50 = 1.7 nM | 788 | C24 H19 N5 O | Cc1c2nnc(n.... |
92 | 6C7D | ic50 = 0.00000001 M | EOJ | C27 H26 Cl N5 O | Cc1c2nnc(n.... |
93 | 5TZW | ic50 = 0.987 uM | 7P4 | C18 H15 F4 N5 O | Cc1cc(n2c(.... |
94 | 6CYC | ic50 = 14 nM | FKJ | C15 H13 F3 N4 O3 | C[C@@H](c1.... |
95 | 4D08 | ic50 = 10 nM | Q2T | C24 H28 N6 O2 | CCCCOc1cc(.... |
96 | 5I2R | ic50 = 0.019 uM | 67A | C20 H13 F3 N4 O2 | c1ccc(cc1).... |
97 | 4FCB | ic50 = 2.9 nM | 0T7 | C25 H24 N4 O | CCCc1nc(c2.... |
98 | 4LM3 | Ki = 1200 uM | 9ZE | C10 H10 O3 | CC(=O)c1cc.... |
99 | 5C29 | Ki = 880 nM | 4XY | C11 H16 Cl N3 | CCCNc1c(c(.... |
100 | 4MSC | Ki = 1.1 uM | 2ZT | C19 H14 N2 O | c1ccc2c(c1.... |
101 | 2OUQ | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
102 | 4MRW | Ki = 500 uM | MRW | C9 H6 Cl N O | c1cc2c(ccn.... |
103 | 5C2E | Ki = 590 nM | 4Y1 | C18 H20 Cl N5 O S | Cc1c(nc(nc.... |
104 | 4LKQ | Ki = 450 uM | 1XM | C5 H5 N5 S | c1c2c([nH].... |
105 | 3LXG | ic50 = 7.28 nM | Z73 | C15 H18 N4 O | CCCc1nc(c2.... |
106 | 5AXP | ic50 = 0.94 nM | 4LK | C23 H18 F N5 O4 | COC1=CN(N=.... |
107 | 4ZO5 | Ki = 0.15 nM | 4Q0 | C28 H25 N3 O5 | CC(C)Oc1cc.... |
108 | 5C1W | Ki = 8.7 uM | 4XS | C8 H8 Cl2 N2 | Cc1c(nc(nc.... |
109 | 3UI7 | Ki = 1 nM | C1L | C18 H22 N4 O2 | Cc1cc(cc2c.... |
110 | 2OUY | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
111 | 3SNL | ic50 = 0.7 nM | 548 | C19 H14 Cl F3 N4 | Cc1cnccc1c.... |
112 | 4LM4 | Ki = 910 uM | JPZ | C8 H6 N2 O | c1ccc2c(c1.... |
113 | 2OUN | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
114 | 5EDI | ic50 = 0.3 nM | 5M9 | C17 H22 Cl N7 | Cc1cc(c(n2.... |
115 | 2OUR | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
116 | 2Y0J | ic50 = 12 nM | AXC | C18 H14 N6 S | Cc1nc2c3cc.... |
117 | 4FCD | ic50 = 0.28 nM | 0T6 | C18 H15 Cl N4 O2 | Cc1c2nnc3c.... |
118 | 5B4L | ic50 = 0.76 nM | 6DW | C28 H27 N7 O2 | c1ccc(cc1).... |
119 | 5C2H | Ki = 0.0082 nM | 4XU | C23 H24 Cl N5 O S | Cc1c(nc(nc.... |
120 | 4YS7 | ic50 = 0.001 uM | 4GK | C20 H19 N7 | Cc1cnc(c2n.... |
121 | 5EDH | - | 5MF | C17 H24 N8 | CCc1cnc(n2.... |
122 | 4PHW | ic50 = 0.1 nM | 2W1 | C24 H21 N3 O3 | c1ccc2c(c1.... |
123 | 4BBX | ic50 = 60 nM | LKF | C18 H24 N6 O2 | Cc1c(n2ccn.... |
124 | 5DH5 | Ki = 0.23 nM | 5AY | C20 H21 N7 O | Cn1cc(cn1).... |
125 | 4P1R | ic50 = 4.1 nM | 2KR | C19 H17 N5 O | Cc1ccc(nc1.... |
126 | 4LLP | Ki = 450 uM | 4ZE | C7 H9 N O | Cc1cc(ccc1.... |
127 | 5UWF | ic50 = 0.059 uM | 8Q7 | C22 H19 F2 N5 O3 S | COc1ccc(cc.... |
128 | 4MSH | Ki = 210 uM | 2D0 | C7 H5 Cl N2 S | c1cc2c(c(c.... |
129 | 5AXQ | ic50 = 0.08 uM | 4LP | C28 H26 F N5 O3 | CC1(c2c(cc.... |
130 | 4LM2 | Ki = 940 uM | 8ZE | C9 H10 O3 | c1cc2c(cc1.... |
131 | 4YQH | ic50 = 0.009 uM | 4F7 | C19 H16 N4 | c1ccc(cc1).... |
132 | 5C2A | Ki = 4.8 nM | 4Y2 | C14 H17 Cl N4 S | Cc1c(nc(nc.... |
133 | 4DDL | ic50 = 4.9 nM | 0JQ | C24 H30 N4 O3 | Cc1cc(cnc1.... |
134 | 4P0N | ic50 = 3.4 nM | 1IR | C18 H17 N5 O S | COc1nc2ccc.... |
135 | 5EDG | - | 5MG | C20 H12 Cl F3 N4 O2 | c1ccc(cc1).... |
136 | 4LLX | Ki = 1300 uM | 5ZE | C6 H9 N3 | Cc1cc(nc(n.... |
137 | 5C28 | Ki = 2.2 uM | 4XV | C8 H10 Cl N3 | Cc1c(nc(nc.... |
138 | 2OUU | - | 35G | C10 H12 N5 O7 P | c1nc2c(n1[.... |
139 | 4MVH | ic50 = 4.5 nM | 2F5 | C22 H19 N5 O3 | c1ccc2c(c1.... |
140 | 4HEU | ic50 = 0.097 nM | 15J | C24 H25 N5 O2 | c1ccc2c(c1.... |
141 | 4LLJ | Ki = 380 uM | 1XN | C8 H9 N3 | c1ccc2c(c1.... |
142 | 3SNI | ic50 = 11 nM | 546 | C18 H17 N5 O | Cc1ccncc1c.... |
143 | 4HF4 | ic50 = 2.4 nM | 15H | C24 H25 N5 O2 S | C[C@@H](C1.... |
144 | 3SN7 | ic50 = 0.7 nM | 540 | C19 H17 F N4 O | Cc1cnccc1c.... |
145 | 4AEL | ic50 = 12 nM | 4HN | C23 H17 N3 O2 | CCOc1ccccc.... |
146 | 4LLK | Ki = 990 uM | MEW | C9 H8 N2 O | CC1=Nc2ccc.... |
147 | 4MSA | Ki = 500 uM | 2ZM | C7 H5 N3 O2 | c1cc2c(cc1.... |
148 | 4MS0 | Ki = 410 uM | 2ZX | C4 H5 Cl N4 | c1c(nc(nc1.... |
149 | 4LM0 | Ki = 560 uM | 5NI | C7 H5 N3 O2 | c1cc2c(cc1.... |
150 | 4DFF | Ki = 35 nM | 0JP | C16 H15 N3 O2 S | COc1cc2c(c.... |
151 | 3WI2 | ic50 = 601 nM | P98 | C26 H23 N3 O | CC(C)c1nc2.... |
152 | 4MRZ | Ki = 300 uM | 2ZV | C6 H7 N3 O2 | Cc1ccnc(c1.... |
153 | 4LM1 | Ki = 590 uM | 7ZE | C9 H6 N2 O2 | c1cc2c(ccc.... |
154 | 5DH4 | Ki = 58 nM | 5AV | C12 H12 Cl N5 S | Cc1c(sc(n1.... |
155 | 5XUJ | - | 8G6 | C13 H10 Cl N3 | Cc1cc2nccc.... |
156 | 3UUO | Ki = 11 nM | 0CV | C17 H21 N5 O | Cc1cc(cc2c.... |
157 | 4MSN | Ki = 94 uM | 2ZQ | C9 H6 N2 O2 | c1cc2cccnc.... |
158 | 4XY2 | ic50 = 8 nM | 490 | C25 H23 N5 O2 | Cn1cc(c(n1.... |
159 | 5LAQ | Ki = 0.63 nM | 6M5 | C33 H40 N6 O4 | COc1ccc(cc.... |
160 | 3SHZ | ic50 = 35.9 nM | 5CO | C20 H27 Cl N4 O4 S | CCCOc1ccc(.... |
161 | 4G2W | ic50 > 1000 nM | NI0 | C22 H32 N4 O4 S | CCCOc1ccc(.... |
162 | 3QI4 | ic50 = 117.2 uM | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
163 | 4QGE | ic50 = 0.6 nM | 35O | C20 H24 N6 O3 | C[C@H](C(=.... |
164 | 3QI3 | - | PDB | C15 H12 Cl F3 N4 O | C[C@H](CC1.... |
165 | 4Y86 | ic50 = 58 nM | 49E | C18 H20 Cl N5 O | CC(c1ccc(c.... |
166 | 3ECN | ic50 = 700 uM | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
167 | 3HQW | ic50 = 51 nM | PF4 | C21 H18 N2 O2 S | COc1ccc(cc.... |
168 | 3QPO | ic50 = 247 nM | PFR | C27 H28 N4 O2 | COc1cc2c(c.... |
169 | 2OVV | Kd = 12 nM | PFH | C24 H23 N3 O3 | COc1cc2c(c.... |
170 | 3HR1 | ic50 = 0.37 nM | PF9 | C25 H20 N4 O | Cn1cc(c(n1.... |
171 | 3QPN | ic50 = 17 nM | PFK | C20 H17 N3 O2 | COc1cc2cnc.... |
172 | 3HQZ | ic50 = 0.42 nM | PF8 | C24 H18 N4 O | c1ccc2c(c1.... |
173 | 2O8H | Ki = 25 nM | 227 | C24 H29 N5 O4 S | CN1CCN(CC1.... |
174 | 3HQY | ic50 = 11.5 nM | PF6 | C25 H20 N4 O | c1ccc2c(c1.... |
175 | 2OVY | Ki = 4 nM | PFJ | C22 H21 N5 O3 | COc1cc2c(c.... |
176 | 3QPP | ic50 = 12 nM | PFW | C31 H30 N4 O2 | COc1cc2c(c.... |
177 | 2QYK | ic50 = 3.3 uM | NPV | C21 H13 N3 O4 | c1cc(cc(c1.... |
178 | 3GWT | ic50 = 7.94 pM | 066 | C27 H26 N4 O5 S | Cc1cc(cc2c.... |
179 | 3WD9 | ic50 = 8.3 nM | QPC | C24 H27 N5 O2 | CC(C)(C)CN.... |
180 | 4KP6 | ic50 = 0.87 nM | 1S1 | C12 H17 N9 | CCC(CC)(C#.... |
181 | 4NW7 | ic50 = 237 nM | 2O5 | C20 H17 Cl N4 O2 | c1cc(cc(c1.... |
182 | 3FRG | ic50 = 4 nM | SK4 | C18 H17 N3 O4 S | COc1cccc(c.... |
183 | 1RO9 | - | 8BR | C10 H13 Br N5 O7 P | c1nc(c2c(n.... |
184 | 1XOT | ic50 = 3.8 uM | VDN | C23 H32 N6 O4 S | CCCc1nc(c2.... |
185 | 1XLX | ic50 = 0.025 uM | CIO | C20 H25 N O4 | COc1ccc(cc.... |
186 | 3O57 | ic50 = 79.4 pM | ZG2 | C29 H34 N6 O3 | CCn1c2c(cn.... |
187 | 3HMV | - | HBT | C17 H17 N3 O4 S | C[C@H]1CCc.... |
188 | 3O56 | ic50 = 794 pM | ZG1 | C21 H27 N7 O3 | CCn1c2c(cn.... |
189 | 1XLZ | ic50 = 0.96 uM | FIL | C15 H20 N2 O4 | C/C(=NOC(=.... |
190 | 1XN0 | ic50 = 0.57 uM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
191 | 1TB5 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
192 | 3D3P | ic50 = 3.1 nM | 20A | C21 H25 N5 O2 | CCn1c2c(cn.... |
193 | 3W5E | ic50 = 11 nM | NVW | C25 H28 N4 O3 S | CC(C)(C)NC.... |
194 | 4MYQ | ic50 = 32 nM | 19T | C19 H18 Cl N3 O2 S | CCc1c(nc(n.... |
195 | 2QYL | ic50 = 0.65 uM | NPV | C21 H13 N3 O4 | c1cc(cc(c1.... |
196 | 1XOS | ic50 = 20 uM | VIA | C22 H30 N6 O4 S | CCCc1c2c(n.... |
197 | 1XM6 | ic50 = 0.42 uM | 5RM | C14 H19 N O4 | CCCOc1cc(c.... |
198 | 1RO6 | Ki ~ 375 nM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
199 | 1Y2H | ic50 = 0.056 uM | 6DE | C14 H15 Cl N2 O2 | CCOC(=O)c1.... |
200 | 1ROR | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
201 | 5UOY | ic50 = 0.027 uM | 8HM | C24 H27 N5 O3 S | COc1ccc(cc.... |
202 | 5W6E | ic50 = 21 nM | 0NY | C17 H21 N5 O2 | Cc1cc([nH].... |
203 | 5B25 | Kd = 0.058 nM | 4QJ | C29 H26 F N7 O | CN1C(=O)c2.... |
204 | 5UP0 | ic50 = 0.46 uM | 8HP | C18 H15 Cl N4 O S | c1cc(ccc1C.... |
205 | 3G4G | ic50 = 19 nM | D71 | C19 H13 N5 O4 | c1cc(cc(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ZAR | 1 | 1 |
This union binding pocket(no: 1) in the query (biounit: 1xon.bio2) has 36 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 1UO4 | PIH | None |
2 | 1L0I | PSR | None |
3 | 4O4Z | N2O | None |
4 | 4WG0 | CHD | None |
5 | 4F4S | EFO | None |
6 | 1UO5 | PIH | None |
7 | 5NNT | DPV | None |
8 | 4V1F | BQ1 | None |
9 | 5AZC | PGT | 0.666667 |
10 | 4DDY | DN6 | 1.14068 |
11 | 1GEG | GLC | 1.17188 |
12 | 1FCZ | 156 | 1.2766 |
13 | 3B99 | U51 | 1.43266 |
14 | 1NF8 | BOG | 1.44928 |
15 | 4G8R | 96P | 1.7192 |
16 | 2Z48 | A2G | 1.7192 |
17 | 2Z49 | AMG | 1.7192 |
18 | 5IM3 | DTP | 1.7192 |
19 | 2Z48 | NGA | 1.7192 |
20 | 5A8E | XTK | 1.90476 |
21 | 2GBB | CIT | 1.92308 |
22 | 3KP6 | SAL | 1.98676 |
23 | 5XJ7 | 87O | 1.99005 |
24 | 4E2J | MOF | 2 |
25 | 1TV5 | N8E | 2.00573 |
26 | 5NCB | JZ3 | 2.00573 |
27 | 4GNC | ASO | 2.00669 |
28 | 3GN8 | DEX | 2.00803 |
29 | 4JE7 | BB2 | 2.03046 |
30 | 4N6W | FLC | 2.19298 |
31 | 2WR1 | NAG | 2.29226 |
32 | 6FX0 | E9T | 2.29226 |
33 | 5VRH | OLB | 2.29226 |
34 | 1M2Z | DEX | 2.33463 |
35 | 4P6X | HCY | 2.35294 |
36 | 2AOT | 2PM | 2.39726 |
37 | 5JF2 | SF7 | 2.45098 |
38 | 2CIX | CEJ | 2.5788 |
39 | 3HP9 | CF1 | 2.5788 |
40 | 1Q7E | MET | 2.5788 |
41 | 3LGG | CFE | 2.5788 |
42 | 1YC4 | 43P | 2.65152 |
43 | 5HCN | DAO | 2.68199 |
44 | 2OKL | BB2 | 2.7027 |
45 | 5UC4 | 83S | 2.72727 |
46 | 3TDC | 0EU | 2.86533 |
47 | 2HZL | PYR | 2.86533 |
48 | 2UW1 | GVM | 2.95858 |
49 | 5Y79 | 3PG | 3.03951 |
50 | 3W54 | RNB | 3.03951 |
51 | 1NU4 | MLA | 3.09278 |
52 | 5GWE | GWM | 3.15186 |
53 | 5M77 | 7K2 7K3 | 3.15186 |
54 | 3O01 | DXC | 3.24675 |
55 | 1R6N | 434 | 3.31754 |
56 | 2BCG | GER | 3.39806 |
57 | 1DKF | OLA | 3.43348 |
58 | 2RH1 | CLR | 3.4384 |
59 | 3SQP | 3J8 | 3.4384 |
60 | 2F5X | ASP | 3.4384 |
61 | 5TPU | TYD | 3.59712 |
62 | 2GWH | PCI | 3.69128 |
63 | 5OLK | DTP | 3.72493 |
64 | 5Y02 | HBX | 3.73832 |
65 | 4G86 | BNT | 3.87324 |
66 | 2VWA | PTY | 3.9604 |
67 | 3F8C | HT1 | 3.96825 |
68 | 3AQT | RCO | 4.08163 |
69 | 5UNJ | RJW | 4.08163 |
70 | 2V2G | BEZ | 4.29185 |
71 | 5LX9 | OLB | 4.29799 |
72 | 6CGN | DA | 4.29799 |
73 | 4UBS | DIF | 4.29799 |
74 | 3FS1 | ALA ALA LEU ALA ALA LEU LEU ALA ALA | 4.34783 |
75 | 3G5K | BB2 | 4.37158 |
76 | 4J8T | DOG | 4.37956 |
77 | 3D04 | SAK | 4.40252 |
78 | 5HSS | 64Z | 4.58221 |
79 | 4F06 | PHB | 4.58453 |
80 | 5AHS | COA | 4.58453 |
81 | 4QOM | PYG | 4.58453 |
82 | 1XW6 | GSH | 4.58716 |
83 | 6BR8 | PGV | 4.7619 |
84 | 6BR8 | 6OU | 4.7619 |
85 | 5AIP | 4HP | 4.79452 |
86 | 6A5Y | 9CR | 4.82456 |
87 | 5BU2 | RIB | 4.87106 |
88 | 6B9T | 2HE | 4.87106 |
89 | 3P9T | TCL | 5.02283 |
90 | 3TL1 | JRO | 5.03145 |
91 | 4RHP | PEF | 5.10638 |
92 | 1WS1 | BB2 | 5.12821 |
93 | 5U97 | PIT | 5.15759 |
94 | 1ZPD | CIT | 5.15759 |
95 | 2BHW | NEX | 5.17241 |
96 | 3FAL | REA | 5.26316 |
97 | 2ITM | XUL | 5.44413 |
98 | 5OPM | DTP | 5.44413 |
99 | 4OGQ | 2WD | 5.625 |
100 | 4OGQ | 1O2 | 5.625 |
101 | 1ZEI | CRS | 5.66038 |
102 | 5CQG | 55C | 5.73066 |
103 | 3JRS | A8S | 5.76923 |
104 | 2BYC | FMN | 5.83942 |
105 | 5X13 | HC4 | 5.85106 |
106 | 4DW4 | U5P | 5.98802 |
107 | 6DWD | HDV | 6.01719 |
108 | 5KD8 | TNR | 6.01719 |
109 | 5KAU | RHQ | 6.06061 |
110 | 5I8F | ML1 | 6.06061 |
111 | 3N7S | 3N7 | 6.25 |
112 | 4DR9 | BB2 | 6.25 |
113 | 2JC9 | ADN | 6.30372 |
114 | 5OSW | DIU | 6.30372 |
115 | 3NB0 | G6P | 6.30372 |
116 | 3ZCB | ATP | 6.56566 |
117 | 1A27 | EST | 6.59026 |
118 | 5IUY | BOG | 6.62252 |
119 | 2YJD | YJD | 6.66667 |
120 | 3NJQ | NJQ | 6.73575 |
121 | 6BMS | PLM | 6.74487 |
122 | 5UGW | GSH | 6.85714 |
123 | 1ZED | PNP | 6.87679 |
124 | 3KO0 | TFP | 6.93069 |
125 | 5V3Y | 5V8 | 6.99301 |
126 | 4LH7 | NMN | 7.12074 |
127 | 5OCA | 9QZ | 7.14286 |
128 | 4K7O | EKZ | 7.14286 |
129 | 3SE5 | ANP | 7.31707 |
130 | 5V4R | MGT | 7.40741 |
131 | 6C1R | EFD | 7.44986 |
132 | 5TVI | MYR | 7.6087 |
133 | 3E70 | GDP | 7.73639 |
134 | 3W5N | RAM | 7.73639 |
135 | 5M36 | 9SZ | 7.89474 |
136 | 3RS8 | ALA TRP LEU PHE GLU ALA | 7.96813 |
137 | 1XVB | 3BR | 8.30946 |
138 | 2PEH | LYS ARG LYS SER ARG TRP ASP GLU THR PRO | 8.57143 |
139 | 1WUU | GLA | 8.59599 |
140 | 5C1M | OLC | 9.6 |
141 | 5C1M | CLR | 9.6 |
142 | 4BTB | PRO PRO PRO PRO PRO PRO PRO PRO PRO | 9.62343 |
143 | 4MGA | 27L | 10.1961 |
144 | 4TUZ | 36J | 10.1961 |
145 | 4MG8 | 27J | 10.1961 |
146 | 4MGD | 27N | 10.1961 |
147 | 4MGB | XDH | 10.1961 |
148 | 4MG9 | 27K | 10.1961 |
149 | 4TV1 | 36M | 10.3586 |
150 | 3UUA | 0CZ | 10.3586 |
151 | 3UU7 | 2OH | 10.3586 |
152 | 4XCP | PLM | 10.5882 |
153 | 4ZGM | 32M | 10.6557 |
154 | 4UCC | ZKW | 10.7296 |
155 | 1XAP | TTB | 10.8614 |
156 | 5CHR | 4NC | 10.9489 |
157 | 5C9J | DAO | 11.1111 |
158 | 1I0B | PEL | 11.747 |
159 | 2HFK | E4H | 11.9122 |
160 | 2Y69 | CHD | 12.1622 |
161 | 1BWO | LPC | 12.2222 |
162 | 6BR9 | 6OU | 12.2563 |
163 | 5Z84 | CHD | 12.3288 |
164 | 5ZCO | CHD | 12.3288 |
165 | 5ZCO | PEK | 12.3288 |
166 | 5Z84 | PGV | 12.3288 |
167 | 5W97 | CHD | 12.3288 |
168 | 2DYS | PGV | 12.3288 |
169 | 3ET1 | ET1 | 12.3711 |
170 | 1N8V | BDD | 12.5 |
171 | 5W7B | MYR | 13.4752 |
172 | 5DCH | 1YO | 13.5417 |
173 | 5LWY | OLB | 14.0187 |
174 | 1O4T | OXL | 14.0401 |
175 | 4WGF | HX2 | 14.1463 |
176 | 6E8I | PTR | 14.2012 |
177 | 5N7O | 69Y | 14.4796 |
178 | 2WOR | 2AN | 15 |
179 | 5M37 | 9SZ | 15 |
180 | 1IGW | PYR | 15.4728 |
181 | 5N8V | KZZ | 15.942 |
182 | 6CB2 | OLC | 16.041 |
183 | 1T0S | BML | 16.2791 |
184 | 3E3U | NVC | 17.7665 |
185 | 3KPE | TM3 | 21.5686 |
186 | 5MWE | TCE | 25.9259 |
187 | 3BJC | WAN | 42.1203 |
188 | 5EDE | 5M6 | 43.8095 |
189 | 5G57 | 6M5 | 48.7106 |
This union binding pocket(no: 2) in the query (biounit: 1xon.bio1) has 38 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3RV5 | DXC | None |
2 | 5VRH | OLC | 2.29226 |
3 | 1S20 | TLA | 2.29226 |
4 | 6DIO | CIT | 2.5788 |
5 | 4RYV | ZEA | 2.58065 |
6 | 6B04 | C6J | 2.6393 |
7 | 6B9P | D0J | 2.86533 |
8 | 5N0F | 7K2 | 3.15186 |
9 | 3VSV | XYP | 3.15186 |
10 | 5MTE | BB2 | 3.64964 |
11 | 4V2O | CLQ | 3.65854 |
12 | 5EY0 | GTP | 4.0146 |
13 | 3W6G | FLC | 4.16667 |
14 | 4INI | AMP | 4.61538 |
15 | 1W0O | SIA | 4.87106 |
16 | 2ZBA | ZBA | 5.15759 |
17 | 2VDY | HCY | 5.15759 |
18 | 6B9R | 2HE | 5.44413 |
19 | 6A0S | NDP | 6.3253 |
20 | 4V3I | ASP LEU THR ARG PRO | 6.61479 |
21 | 2QJY | UQ2 | 9.09091 |
22 | 4RJD | TFP | 9.09091 |
23 | 1Q1Y | BB2 | 9.42408 |
24 | 6BR9 | PGV | 12.2563 |