Structure of PDB 2pw3 Chain A Binding Site BS02 |
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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 |
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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 |
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Formula | C10 H12 N5 O6 P |
Name | ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE; CYCLIC AMP; CAMP |
ChEMBL | CHEMBL316966 |
DrugBank | DB02527 |
ZINC | ZINC000003873977
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PDB chain | 2pw3 Chain A Residue 1
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Enzyme Commision number |
3.1.4.53: 3',5'-cyclic-AMP phosphodiesterase. |
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