SEQ2FUN

BioLiP

PDB CCD ID: 1K8
Number of entries in BioLiP: 5
Chemical formula: C13 H14 Cl N3
InChI: InChI=1S/C13H14ClN3/c14-11-9-10-3-1-2-4-12(10)16-13(11)17-7-5-15-6-8-17/h1-4,9,15H,5-8H2
InChIKey: JJZVQFQJCHXCFQ-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)cc(c(n2)N3CCNCC3)Cl
CACTVS 3.385Clc1cc2ccccc2nc1N3CCNCC3
Name:3-chloranyl-2-piperazin-1-yl-quinoline;
BDM88855;
153987774
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).