SEQ2FUN

BioLiP

PDB CCD ID: 173
Number of entries in BioLiP: 14
Chemical formula: C8 H6 O3
InChI: InChI=1S/C8H6O3/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5H,(H,10,11)
InChIKey: FAQJJMHZNSSFSM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc(cc1)C(=O)C(=O)O
CACTVS 3.341OC(=O)C(=O)c1ccccc1
ACDLabs 10.04O=C(C(=O)O)c1ccccc1
Name:BENZOYL-FORMIC ACID;
OXO(PHENYL)ACETIC ACID
ChEMBL: CHEMBL950
DrugBank: DB02279
ZINC: ZINC000001529359
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).