SEQ2FUN

BioLiP

PDB CCD ID: KDV
Number of entries in BioLiP: 2
Chemical formula: C10 H6 N2
InChI: InChI=1S/C10H6N2/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5,7H
InChIKey: QZZYYBQGTSGDPP-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
ACDLabs 12.01C(c2cnc1ccccc1c2)#N
CACTVS 3.385N#Cc1cnc2ccccc2c1
OpenEye OEToolkits 2.0.6c1ccc2c(c1)cc(cn2)C#N
Name:quinoline-3-carbonitrile
ChEMBL: CHEMBL4524183
ZINC: ZINC000000388450
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).