SEQ2FUN

BioLiP

PDB CCD ID: KWL
Number of entries in BioLiP: 0
Chemical formula: C19 H22 N6
InChI: InChI=1S/C19H22N6/c1-2-17-18(24-6-5-23-17)11-15(1)12-22-14-16-13-21-4-3-19(16)25-9-7-20-8-10-25/h1-6,11,13,20,22H,7-10,12,14H2
InChIKey: XFJFERUVHIMWDN-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1cc2c(cc1CNCc3cnccc3N4CCNCC4)nccn2
ACDLabs 12.01c1nccc(c1CNCc1cc2nccnc2cc1)N1CCNCC1
CACTVS 3.385C1CN(CCN1)c2ccncc2CNCc3ccc4nccnc4c3
Name:1-[4-(piperazin-1-yl)pyridin-3-yl]-N-[(quinoxalin-6-yl)methyl]methanamine
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).