SEQ2FUN

BioLiP

PDB CCD ID: HPS
Number of entries in BioLiP: 4
Chemical formula: C6 H7 O4 P
InChI: InChI=1S/C6H7O4P/c7-11(8,9)10-6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKey: CMPQUABWPXYYSH-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 10.04O=P(Oc1ccccc1)(O)O
OpenEye OEToolkits 1.5.0c1ccc(cc1)OP(=O)(O)O
CACTVS 3.341O[P](O)(=O)Oc1ccccc1
Name:PHENYL DIHYDROGEN PHOSPHATE;
PHENYLPHOSPHATE
ChEMBL: CHEMBL26128
DrugBank: DB03298
ZINC: ZINC000001529512
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).