SEQ2FUN

BioLiP

PDB CCD ID: BK0
Number of entries in BioLiP: 2
Chemical formula: C12 H9 Cl N2 O
InChI: InChI=1S/C12H9ClN2O/c13-9-4-3-5-10(8-9)15-12(16)11-6-1-2-7-14-11/h1-8H,(H,15,16)
InChIKey: SUYUTNCKIOLMAJ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1cccc(NC(=O)c2ccccn2)c1
OpenEye OEToolkits 2.0.7c1ccnc(c1)C(=O)Nc2cccc(c2)Cl
Name:N-(3-chlorophenyl)pyridine-2-carboxamide
ChEMBL: CHEMBL556667
ZINC: ZINC000000362766
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).