SEQ2FUN

BioLiP

PDB CCD ID: TI7
Number of entries in BioLiP: 4
Chemical formula: C14 H12 O2
InChI: InChI=1S/C14H12O2/c1-10-5-2-3-8-13(10)11-6-4-7-12(9-11)14(15)16/h2-9H,1H3,(H,15,16)
InChIKey: IAZJDWZUCUHVPQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6Cc1ccccc1c2cccc(c2)C(=O)O
CACTVS 3.385Cc1ccccc1c2cccc(c2)C(O)=O
Name:3-(2-methylphenyl)benzoic acid
ChEMBL: CHEMBL4162514
ZINC: ZINC000002574056
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).