SEQ2FUN

BioLiP

PDB CCD ID: M4D
Number of entries in BioLiP: 8
Chemical formula: C18 H27 N3
InChI: InChI=1S/C18H27N3/c1-2-3-4-9-15-13-16-14(8-5-6-12-19)10-7-11-17(16)21-18(15)20/h7,10-11,13H,2-6,8-9,12,19H2,1H3,(H2,20,21)
InChIKey: GHXJTPWIBLPAON-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385CCCCCc1cc2c(CCCCN)cccc2nc1N
OpenEye OEToolkits 1.9.2CCCCCc1cc2c(cccc2nc1N)CCCCN
Name:5-(4-azanylbutyl)-3-pentyl-quinolin-2-amine
ChEMBL: CHEMBL3622853
ZINC: ZINC000473113366
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).