Structure of PDB 3kcc Chain B Binding Site BS01 |
|
|
|
| Ligand ID | CMP |
| InChI | InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(16)7-4(20-10)1-19-22(17,18)21-7/h2-4,6-7,10,16H,1H2,(H,17,18)(H2,11,12,13)/t4-,6-,7-,10-/m1/s1 |
| InChIKey | IVOMOUWHDPKRLL-KQYNXXCUSA-N |
| SMILES | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)C3C(C4C(O3)COP(=O)(O4)O)O)N | | ACDLabs 10.04 | O=P3(OCC4OC(n1c2ncnc(N)c2nc1)C(O)C4O3)O | | OpenEye OEToolkits 1.5.0 | c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@](=O)(O4)O)O)N | | CACTVS 3.341 | Nc1ncnc2n(cnc12)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O | | CACTVS 3.341 | Nc1ncnc2n(cnc12)[C@@H]3O[C@@H]4CO[P@](O)(=O)O[C@H]4[C@H]3O |
|
| Formula | C10 H12 N5 O6 P |
| Name | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE;
CYCLIC AMP;
CAMP |
| ChEMBL | CHEMBL316966 |
| DrugBank | DB02527 |
| ZINC | ZINC000003873977
|
| PDB chain | 3kcc Chain B Residue 302
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
| Catalytic site (original residue number in PDB) |
V183 |
| Catalytic site (residue number reindexed from 1) |
V175 |
| Enzyme Commision number |
? |
|
|
|
|
|
