Structure of PDB 1lv8 Chain B Binding Site BS02 |
|
|
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 |
---|
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 |
|
Formula | C9 H13 N6 O4 P |
Name | 2,6-DIAMINO-(S)-9-[2-(PHOSPHONOMETHOXY)PROPYL]PURINE |
ChEMBL | |
DrugBank | DB02222 |
ZINC |
|
PDB chain | 1lv8 Chain B Residue 3002
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
|
|
|
|
|
|
|