SEQ2FUN

BioLiP

PDB CCD ID: FYR
Number of entries in BioLiP: 1
Chemical formula: C13 H10 O3
InChI: InChI=1S/C13H10O3/c14-12-8-10(6-7-11(12)13(15)16)9-4-2-1-3-5-9/h1-8,14H,(H,15,16)
InChIKey: IDXMMAOAJXZWSS-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccc(cc1O)c2ccccc2
OpenEye OEToolkits 2.0.7c1ccc(cc1)c2ccc(c(c2)O)C(=O)O
Name:2-oxidanyl-4-phenyl-benzoic acid
ChEMBL: CHEMBL475848
ZINC: ZINC000039194529
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).