SEQ2FUN

BioLiP

PDB CCD ID: 6P3
Number of entries in BioLiP: 9
Chemical formula: C12 H9 N O2
InChI: InChI=1S/C12H9NO2/c14-12(15)10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)
InChIKey: DLFLQXUYRFIFOK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1ccc(cc1)c2ccc(cn2)C(=O)O
CACTVS 3.370OC(=O)c1ccc(nc1)c2ccccc2
ACDLabs 12.01O=C(O)c2cnc(c1ccccc1)cc2
Name:6-phenylpyridine-3-carboxylic acid
ChEMBL: CHEMBL2316892
ZINC: ZINC000002506130
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).