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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 266 families. | |||||
1 | 1S0X | - | C3S | C27 H46 O4 S | CC(C)CCC[C.... |
2 | 1N83 | - | CLR | C27 H46 O | CC(C)CCC[C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 25 families. | |||||
1 | 6VQF | - | R7V | C30 H29 F8 N O5 S | C[C@H]1C[C.... |
2 | 6XAE | - | Z7F | C33 H32 Cl F2 N O6 S | c1cc(c(c(c.... |
3 | 6W9I | - | Z7D | C24 H23 F O3 S | c1ccc(cc1).... |
4 | 7JH2 | - | VBG | C34 H30 F8 N4 O5 S | CC(=O)N1CC.... |
5 | 6NWT | - | L7P | C26 H24 F7 N3 O | c1cc(ccc1C.... |
6 | 4YMQ | Kd = 1.6 uM | ZBD | C25 H29 F6 N3 O5 S | C[C@H](CCO.... |
7 | 4WLB | ic50 = 0.18 uM | 3QQ | C22 H31 F N4 O4 S2 | CC(C)CN(Cc.... |
8 | 5NTQ | ic50 = 33.8 nM | 444 | C17 H12 F9 N O3 S | c1ccc(cc1).... |
9 | 4QM0 | - | 39K | C23 H27 N O4 S3 | CC(C)CN(Cc.... |
10 | 5IXK | ic50 = 4.7 nM | 6EW | C23 H27 F3 N2 O4 S | CCN1c2ccc(.... |
11 | 6SAL | ic50 = 0.264 uM | L3E | C22 H13 Cl F3 N3 O3 | c1cc(c(c(c.... |
12 | 5NTP | ic50 = 0.7 nM | 98E | C25 H32 Cl N5 O2 | Cc1c(cc(cc.... |
13 | 5G42 | - | 4TU | C9 H9 Cl N2 O | c1cc2c(cc1.... |
14 | 5VB7 | Kd = 0.19 uM | 921 | C30 H35 N3 O2 | CC(=CCN(c1.... |
15 | 6J1L | - | B6L | C25 H20 F7 N O4 S | CCS(=O)(=O.... |
16 | 4ZJW | ic50 = 0.1 uM | 4P1 | C24 H19 Cl2 F N2 O2 | CNC(=O)c1c.... |
17 | 6O3Z | - | LKY | C27 H31 F N4 O2 | Cc1c(cc(cc.... |
18 | 5G45 | Kd = 500 uM | A7W | C9 H8 N2 O | c1cc2cc(cn.... |
19 | 5LWP | ic50 = 120 nM | 79U | C24 H17 Cl F3 N3 O4 | CN(C)C(=O).... |
20 | 6FGQ | ic50 = 0.014 uM | D9N | C28 H26 N2 O6 S2 | CCS(=O)(=O.... |
21 | 5NTK | ic50 = 9.7 nM | 99N | C37 H56 N2 O7 S | C[C@H](CCC.... |
22 | 5M96 | - | Q6Y | C26 H33 N7 O2 | Cc1c(cn2cc.... |
23 | 5C4S | ic50 = 3.8 nM | 4Y5 | C22 H10 Cl F5 N2 O3 | c1cc(c(c(c.... |
24 | 6XFV | - | V27 | C28 H30 F6 N2 O3 | CC(=O)N1CC.... |
25 | 6Q7H | ic50 = 21 nM | HL8 | C19 H13 Cl3 F3 N3 O3 | Cc1c(nc(n1.... |
26 | 6Q2W | - | HBW | C26 H22 Cl2 F3 N5 O4 S | CNC(=O)[C@.... |
27 | 5VB6 | Kd = 0.43 uM | 927 | C31 H36 N4 O2 | CC(=CCN(c1.... |
28 | 5G46 | Kd = 2.5 mM | 6VD | C11 H11 N O | CCc1cc(c2c.... |
29 | 6BN6 | - | XGH | C23 H23 F7 N2 O5 S2 | CC(C)(CNC(.... |
30 | 5VB5 | Kd = 0.35 uM | 92A | C30 H40 Cl N3 O3 | CC1CCN(CC1.... |
31 | 4ZOM | ic50 = 3 nM | 4Q3 | C27 H29 Cl F N5 O2 | CC(C)n1c(c.... |
32 | 5X8S | - | 6Q5 | C30 H48 O3 | C[C@@H]1CC.... |
33 | 6Q6M | ic50 = 128 nM | HJW | C17 H18 Cl N O3 S | CCOC(=O)[C.... |
34 | 7JTM | - | VK7 | C30 H26 F8 N2 O5 S | c1cc(ccc1F.... |
35 | 6CN6 | ic50 = 5 nM | F7J | C29 H32 N4 O2 | Cc1c(ccc2c.... |
36 | 6W9H | - | TKJ | C29 H30 F N O6 S2 | c1ccc(cc1).... |
37 | 4XT9 | - | 43V | C25 H20 Cl2 N2 O3 S2 | CCS(=O)(=O.... |
38 | 5C4T | ic50 = 21.8 nM | 4Y6 | C23 H17 Cl F4 N2 O3 | C[C@@]1(CC.... |
39 | 6Q7A | ic50 = 29 nM | HKZ | C21 H16 Cl2 N2 O | Cc1c(nc(n1.... |
40 | 6CN5 | Ki = 0.02 uM | F7M | C28 H31 N5 O2 | Cn1cc(c2c1.... |
41 | 3B0W | - | DGX | C41 H64 O14 | C[C@@H]1[C.... |
42 | 1NQ7 | Ki = 0.16 uM | ARL | C23 H32 O2 | CC(=C/C(=O.... |
43 | 1S0X | - | C3S | C27 H46 O4 S | CC(C)CCC[C.... |
44 | 1N83 | - | CLR | C27 H46 O | CC(C)CCC[C.... |
45 | 4YPQ | ic50 = 7 nM | 4F1 | C22 H12 Cl F3 N2 O3 | c1ccc2c(c1.... |
46 | 5C4O | ic50 = 6.1 nM | 4F1 | C22 H12 Cl F3 N2 O3 | c1ccc2c(c1.... |
47 | 5YP6 | ic50 > 0.0000316 M | 4CX | C28 H27 F3 N2 O3 S | CCS(=O)(=O.... |
48 | 6Q6O | ic50 = 29 nM | HKE | C17 H17 Cl2 N O4 | C[C@@H](C(.... |
This union binding pocket(no: 1) in the query (biounit: 1n83.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |