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- Structure Biounit | Ligand Information
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 5 families. | |||||
1 | 2VKU | Kd = 29.5 uM | DBE | C13 H10 O3 | c1cc(ccc1C.... |
2 | 1X8V | Kd = 100 uM | ESL | C18 H24 O3 | C[C@]12CC[.... |
3 | 2W0A | - | CII | C17 H25 N3 O2 | CC(C)[C@@H.... |
4 | 2W09 | Kd = 35.4 uM | CM9 | C18 H27 N3 O2 S | CC1CCC(CC1.... |
5 | 2W0B | Kd = 58.3 uM | CMW | C16 H19 N3 O4 S | Cc1ccc(cc1.... |
6 | 2CIB | Kd = 7.2 uM | CM6 | C19 H15 N5 O3 S2 | c1ccc(cc1).... |
7 | 2CI0 | Kd = 5 uM | 1CM | C15 H16 N2 O | CC[C@H](c1.... |
8 | 1E9X | - | PIM | C9 H8 N2 | c1ccc(cc1).... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4UVR | - | J5Y | C34 H32 Cl F N6 O2 | Cc1ccc(cc1.... |
2 | 2WUZ | - | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
3 | 4C0C | Kd < 10 nM | WVH | C33 H29 F3 N6 O2 | c1ccc2c(c1.... |
4 | 4COH | Kd ~ 10 nM | T9H | C31 H29 F N6 O4 S2 | c1ccc2c(c1.... |
5 | 4C28 | - | TW5 | C33 H30 Cl F N6 O2 | c1ccc2c(c1.... |
6 | 2WX2 | - | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
7 | 4UQH | Kd = 240 nM | 25S | C33 H29 F3 N6 O2 | c1ccc2c(c1.... |
8 | 4C27 | - | 26N | C34 H30 F4 N6 O2 | c1ccc2c(c1.... |
9 | 4ZE2 | Kd = 0.13 uM | 1YN | C35 H38 Cl2 N8 O4 | CC[C@@H](C.... |
10 | 5HS1 | Kd = 0.082 uM | VOR | C16 H14 F3 N5 O | C[C@@H](c1.... |
11 | 4WMZ | Kd = 0.074 uM | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
12 | 5EAG | - | 5LU | C15 H16 Cl3 N3 O2 | CCCN(CCOc1.... |
13 | 4ZE1 | Kd = 0.15 uM | X2N | C37 H42 F2 N8 O4 | CC[C@@H]([.... |
14 | 5EAD | - | 5L9 | C14 H15 Cl2 N3 O | c1ccc(c(c1.... |
15 | 5EQB | - | 1YN | C35 H38 Cl2 N8 O4 | CC[C@@H](C.... |
16 | 4LXJ | - | LAN | C30 H50 O | C[C@H](CCC.... |
17 | 4ZDZ | Kd = 0.13 uM | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
18 | 4ZE3 | Kd = 0.11 uM | TPF | C13 H12 F2 N6 O | c1cc(c(cc1.... |
19 | 5EAC | - | TBQ | C16 H22 Cl N3 O | CC(C)(C)[C.... |
20 | 4ZE0 | Kd = 0.03 uM | VOR | C16 H14 F3 N5 O | C[C@@H](c1.... |
21 | 4ZDY | Kd = 0.13 uM | 1YN | C35 H38 Cl2 N8 O4 | CC[C@@H](C.... |
22 | 6AYB | - | KKK | C26 H28 Cl2 N4 O4 | CC(=O)N1CC.... |
23 | 6AY6 | - | VOR | C16 H14 F3 N5 O | C[C@@H](c1.... |
24 | 5TZ1 | Kd = 20.7 nM | VT1 | C23 H16 F7 N5 O2 | c1cc(ccc1c.... |
25 | 2VKU | Kd = 29.5 uM | DBE | C13 H10 O3 | c1cc(ccc1C.... |
26 | 1X8V | Kd = 100 uM | ESL | C18 H24 O3 | C[C@]12CC[.... |
27 | 2W0A | - | CII | C17 H25 N3 O2 | CC(C)[C@@H.... |
28 | 2W09 | Kd = 35.4 uM | CM9 | C18 H27 N3 O2 S | CC1CCC(CC1.... |
29 | 2W0B | Kd = 58.3 uM | CMW | C16 H19 N3 O4 S | Cc1ccc(cc1.... |
30 | 2CIB | Kd = 7.2 uM | CM6 | C19 H15 N5 O3 S2 | c1ccc(cc1).... |
31 | 2CI0 | Kd = 5 uM | 1CM | C15 H16 N2 O | CC[C@H](c1.... |
32 | 1E9X | - | PIM | C9 H8 N2 | c1ccc(cc1).... |
33 | 6CR2 | Kd = 20 nM | LFV | C28 H19 Cl2 F4 N5 O3 | c1cc(ccc1c.... |
34 | 3TIK | - | JKF | C28 H22 Cl F2 N3 O2 | Cn1cncc1[C.... |
35 | 4UHI | Kd = 103 nM | VFV | C32 H23 F2 N5 O2 | c1ccc(cc1).... |
36 | 4UHL | Kd = 103 nM | VFV | C32 H23 F2 N5 O2 | c1ccc(cc1).... |
37 | 6UEZ | - | LAN | C30 H50 O | C[C@H](CCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 1CM | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GB2 | 0.9247 |
2 | 0OM | 0.9236 |
3 | PZX | 0.9140 |
4 | HPX | 0.9013 |
5 | H3W | 0.9004 |
6 | MQS | 0.8973 |
7 | BXS | 0.8964 |
8 | 0QR | 0.8961 |
9 | 0QA | 0.8948 |
10 | STS | 0.8944 |
11 | GVQ | 0.8923 |
12 | UN3 | 0.8920 |
13 | F91 | 0.8919 |
14 | J6N | 0.8911 |
15 | BZM | 0.8911 |
16 | 62P | 0.8907 |
17 | RWF | 0.8904 |
18 | 2OH | 0.8896 |
19 | 6VY | 0.8889 |
20 | CT0 | 0.8869 |
21 | SFY | 0.8866 |
22 | 6JD | 0.8826 |
23 | 5KN | 0.8825 |
24 | JF5 | 0.8823 |
25 | CWP | 0.8810 |
26 | OH4 | 0.8797 |
27 | 08D | 0.8795 |
28 | HPZ | 0.8772 |
29 | 5R9 | 0.8771 |
30 | TCO | 0.8770 |
31 | HHB | 0.8766 |
32 | HCC | 0.8755 |
33 | 6C5 | 0.8746 |
34 | WDT | 0.8738 |
35 | 6FR | 0.8735 |
36 | SVG | 0.8733 |
37 | C0V | 0.8730 |
38 | G8V | 0.8708 |
39 | 9ME | 0.8702 |
40 | 5ER | 0.8693 |
41 | BFS | 0.8682 |
42 | CW6 | 0.8674 |
43 | 6Q9 | 0.8669 |
44 | P9L | 0.8641 |
45 | H48 | 0.8634 |
46 | G3P IDM | 0.8607 |
47 | 2L1 | 0.8599 |
48 | 22F | 0.8597 |
49 | EXP | 0.8592 |
50 | B2K | 0.8570 |
51 | 1OH | 0.8548 |
52 | PHE ALA | 0.8533 |
This union binding pocket(no: 1) in the query (biounit: 2ci0.bio1) has 22 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |