SEQ2FUN

BioLiP

PDB CCD ID: 3WC
Number of entries in BioLiP: 2
Chemical formula: C14 H17 N3
InChI: InChI=1S/C14H17N3/c1-11-10-14(17-8-6-15-7-9-17)16-13-5-3-2-4-12(11)13/h2-5,10,15H,6-9H2,1H3
InChIKey: LCRABWZMGNEZJV-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.9.2Cc1cc(nc2c1cccc2)N3CCNCC3
CACTVS 3.385Cc1cc(nc2ccccc12)N3CCNCC3
ACDLabs 12.01n1c3c(c(cc1N2CCNCC2)C)cccc3
Name:4-METHYL-2-(PIPERAZIN-1-YL) QUINOLINE
ChEMBL: CHEMBL1559535
ZINC: ZINC000095067845
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).