SEQ2FUN

BioLiP

PDB CCD ID: 61O
Number of entries in BioLiP: 1
Chemical formula: C12 H9 N O2
InChI: InChI=1S/C12H9NO2/c14-12(15)11-6-2-1-5-10(11)9-4-3-7-13-8-9/h1-8H,(H,14,15)
InChIKey: DRGNPLUCFXKUAL-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385OC(=O)c1ccccc1c2cccnc2
ACDLabs 12.01c1(cnccc1)c2ccccc2C(O)=O
OpenEye OEToolkits 2.0.4c1ccc(c(c1)c2cccnc2)C(=O)O
Name:2-(pyridin-3-yl)benzoic acid
ZINC: ZINC000002581036
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).