SEQ2FUN

BioLiP

PDB CCD ID: K6R
Number of entries in BioLiP: 1
Chemical formula: C13 H10 Cl N3
InChI: InChI=1S/C13H10ClN3/c14-13-11(8-15)12(6-7-16-13)17-9-10-4-2-1-3-5-10/h1-7H,9H2,(H,16,17)
InChIKey: CITZANXHXWMHOG-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Clc1nccc(NCc2ccccc2)c1C#N
OpenEye OEToolkits 2.0.7c1ccc(cc1)CNc2ccnc(c2C#N)Cl
Name:2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile
ChEMBL: CHEMBL1727323
ZINC: ZINC000019093700

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).