SEQ2FUN

BioLiP

PDB CCD ID: TVC
Number of entries in BioLiP: 3
Chemical formula: C17 H12 O2
InChI: InChI=1S/C17H12O2/c18-17(19)16-7-3-6-14(11-16)15-9-8-12-4-1-2-5-13(12)10-15/h1-11H,(H,18,19)
InChIKey: QOPDOKREBSOVNG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1cccc(c1)c2ccc3ccccc3c2
OpenEye OEToolkits 2.0.6c1ccc2cc(ccc2c1)c3cccc(c3)C(=O)O
Name:3-naphthalen-2-ylbenzoic acid
ChEMBL: CHEMBL4159328
ZINC: ZINC000002529015
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).