SEQ2FUN

BioLiP

PDB CCD ID: TFO
Number of entries in BioLiP: 1
Chemical formula: C9 H14 N5 O4 P
InChI: InChI=1S/C9H14N5O4P/c1-6(18-5-19(15,16)17)2-14-4-13-7-8(10)11-3-12-9(7)14/h3-4,6H,2,5H2,1H3,(H2,10,11,12)(H2,15,16,17)/t6-/m1/s1
InChIKey: SGOIRFVFHAKUTI-ZCFIWIBFSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H](Cn1cnc2c1ncnc2N)OCP(=O)(O)O
ACDLabs 10.04O=P(O)(O)COC(C)Cn1c2ncnc(c2nc1)N
OpenEye OEToolkits 1.5.0CC(Cn1cnc2c1ncnc2N)OCP(=O)(O)O
CACTVS 3.341C[C@H](Cn1cnc2c(N)ncnc12)OC[P](O)(O)=O
CACTVS 3.341C[CH](Cn1cnc2c(N)ncnc12)OC[P](O)(O)=O
Name:[2-(6-AMINO-9H-PURIN-9-YL)-1-METHYLETHOXY]METHYLPHOSPHONIC ACID;
TENOFOVIR
ChEMBL: CHEMBL483
DrugBank: DB14126
ZINC: ZINC000001543475
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia 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).