SEQ2FUN

BioLiP

PDB CCD ID: 49O
Number of entries in BioLiP: 1
Chemical formula: C10 H12 N4
InChI: InChI=1S/C10H12N4/c11-8-9-2-1-3-13-10(9)14-6-4-12-5-7-14/h1-3,12H,4-7H2
InChIKey: QSMNQUURWIAXAA-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2c1cc(c(nc1)N2CCNCC2)C#N
ACDLabs 12.01N#Cc1c(nccc1)N2CCNCC2
CACTVS 3.385N#Cc1cccnc1N2CCNCC2
Name:2-(piperazin-1-yl)pyridine-3-carbonitrile
ChEMBL: CHEMBL48137
ZINC: ZINC000000148271
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).