SEQ2FUN

BioLiP

PDB CCD ID: A1AJQ
Number of entries in BioLiP: 1
Chemical formula: C13 H15 N3
InChI: InChI=1S/C13H15N3/c1-2-4-12-11(3-1)13(5-6-15-12)16-9-7-14-8-10-16/h1-6,14H,7-10H2
InChIKey: CGSWRHKBLLDUHO-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385C1CN(CCN1)c2ccnc3ccccc23
OpenEye OEToolkits 2.0.7c1ccc2c(c1)c(ccn2)N3CCNCC3
ACDLabs 12.01c1cc(c2ccccc2n1)N1CCNCC1
Name:4-(piperazin-1-yl)quinoline
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).