SEQ2FUN

BioLiP

PDB CCD ID: 5FL
Number of entries in BioLiP: 4
Chemical formula: C12 H9 N O2
InChI: InChI=1S/C12H9NO2/c14-12(15)11-3-1-2-10(8-11)9-4-6-13-7-5-9/h1-8H,(H,14,15)
InChIKey: IYGIZNZSONLPSI-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01c2c(c1cccc(c1)C(=O)O)ccnc2
OpenEye OEToolkits 1.9.2c1cc(cc(c1)C(=O)O)c2ccncc2
CACTVS 3.385OC(=O)c1cccc(c1)c2ccncc2
Name:3-(pyridin-4-yl)benzoic acid
ChEMBL: CHEMBL3913021
ZINC: ZINC000002563822
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).