SEQ2FUN

BioLiP

PDB CCD ID: 17D
Number of entries in BioLiP: 6
Chemical formula: C14 H12 O2
InChI: InChI=1S/C14H12O2/c15-14(16)13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,15,16)
InChIKey: FESDHLLVLYZNFY-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.370OC(=O)c1ccccc1Cc2ccccc2
ACDLabs 12.01O=C(O)c1ccccc1Cc2ccccc2
OpenEye OEToolkits 1.7.0c1ccc(cc1)Cc2ccccc2C(=O)O
Name:2-benzylbenzoic acid
ChEMBL: CHEMBL1879588
ZINC: ZINC000000404457
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).