Structure of PDB 1lvu Chain F Binding Site BS02 |
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Ligand ID | 9PP |
InChI | InChI=1S/C9H15N6O4P/c1-5(19-4-20(16,17)18)2-15-3-12-6-7(10)13-9(11)14-8(6)15/h3,5H,2,4H2,1H3,(H2,16,17,18)(H4,10,11,13,14)/p-2/t5-/m0/s1 |
InChIKey | LWEKFDHXJHJYGB-YFKPBYRVSA-L |
SMILES | Software | SMILES |
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OpenEye OEToolkits 1.5.0 | C[C@@H](Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-] | ACDLabs 10.04 | [O-]P([O-])(=O)COC(C)Cn1c2nc(nc(c2nc1)N)N | OpenEye OEToolkits 1.5.0 | CC(Cn1cnc2c1nc(nc2N)N)OCP(=O)([O-])[O-] | CACTVS 3.341 | C[CH](Cn1cnc2c(N)nc(N)nc12)OC[P]([O-])([O-])=O | CACTVS 3.341 | C[C@@H](Cn1cnc2c(N)nc(N)nc12)OC[P]([O-])([O-])=O |
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Formula | C9 H13 N6 O4 P |
Name | 2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE |
ChEMBL | |
DrugBank | DB02222 |
ZINC |
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PDB chain | 1lvu Chain F Residue 6600
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