Structure of PDB 1tlc Chain B Binding Site BS01 |
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| Ligand ID | DGP |
| InChI | InChI=1S/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m0/s1 |
| InChIKey | LTFMZDNNPPEQNG-KVQBGUIXSA-N |
| SMILES | | Software | SMILES |
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| ACDLabs 12.01 | O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O | | CACTVS 3.370 | NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3 | | CACTVS 3.370 | NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3 | | OpenEye OEToolkits 1.7.0 | c1nc2c(n1C3CC(C(O3)COP(=O)(O)O)O)N=C(NC2=O)N | | OpenEye OEToolkits 1.7.0 | c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N |
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| Formula | C10 H14 N5 O7 P |
| Name | 2'-DEOXYGUANOSINE-5'-MONOPHOSPHATE |
| ChEMBL | CHEMBL477487 |
| DrugBank | DB04457 |
| ZINC | ZINC000001730395
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| PDB chain | 1tlc Chain A Residue 265
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