SEQ2FUN

BioLiP

PDB CCD ID: L5D
Number of entries in BioLiP: 4
Chemical formula: C14 H12 O2
InChI: InChI=1S/C14H12O2/c1-10-4-2-5-11(8-10)12-6-3-7-13(9-12)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey: BJVLFJADOVATRU-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Cc1cccc(c1)c2cccc(c2)C(O)=O
OpenEye OEToolkits 2.0.6Cc1cccc(c1)c2cccc(c2)C(=O)O
Name:3-(3-methylphenyl)benzoic acid
ChEMBL: CHEMBL4170450
ZINC: ZINC000000193228
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).