SEQ2FUN

BioLiP

PDB CCD ID: XH8
Number of entries in BioLiP: 7
Chemical formula: C18 H20 N4
InChI: InChI=1S/C18H20N4/c19-18-8-7-16-6-5-15(11-17(16)22-18)13-21-10-2-4-14-3-1-9-20-12-14/h1,3,5-9,11-12,21H,2,4,10,13H2,(H2,19,22)
InChIKey: SYLCHGGIDVOGEK-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385Nc1ccc2ccc(CNCCCc3cccnc3)cc2n1
OpenEye OEToolkits 1.7.6c1cc(cnc1)CCCNCc2ccc3ccc(nc3c2)N
Name:7-(((3-(PYRIDIN-3-YL)PROPYL)AMINO)METHYL)QUINOLIN-2-
ChEMBL: CHEMBL4071836
ZINC: ZINC000584905751
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).