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BioLiP

PDB CCD ID: TNM
Number of entries in BioLiP: 5
Chemical formula: C9 H15 N5 O7 P2
InChI: InChI=1S/C9H15N5O7P2/c1-6(20-5-22(15,16)21-23(17,18)19)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H,15,16)(H2,10,11,12)(H2,17,18,19)/t6-/m1/s1
InChIKey: BQDRSOMUPPCKPB-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
CACTVS 3.341C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(=O)O[P](O)(O)=O
CACTVS 3.341C[C@H](Cn1cnc2c(N)ncnc12)OC[P@@](O)(=O)O[P](O)(O)=O
OpenEye OEToolkits 1.5.0C[C@H](Cn1cnc2c1ncnc2N)OC[P@](=O)(O)OP(=O)(O)O
OpenEye OEToolkits 1.5.0CC(Cn1cnc2c1ncnc2N)OCP(=O)(O)OP(=O)(O)O
Name:[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phosphonooxy-phosphinic acid;
Tenofovir-monophosphate;
PMPA-monophosphate
ChEMBL: CHEMBL1162283
ZINC: ZINC000022066684
Reference:
  • Chengxin Zhang, Xi Zhang, Peter L Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).

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