SEQ2FUN

BioLiP

PDB CCD ID: AVA
Number of entries in BioLiP: 4
Chemical formula: C12 H9 N O2
InChI: InChI=1S/C12H9NO2/c14-12(15)10-5-3-4-9(8-10)11-6-1-2-7-13-11/h1-8H,(H,14,15)
InChIKey: IRXFQXMHMRTLIR-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.6c1ccnc(c1)c2cccc(c2)C(=O)O
CACTVS 3.385OC(=O)c1cccc(c1)c2ccccn2
Name:3-pyridin-2-ylbenzoic acid
ChEMBL: CHEMBL4172180
ZINC: ZINC000002563821
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).