SEQ2FUN

BioLiP

PDB CCD ID: JHT
Number of entries in BioLiP: 5
Chemical formula: C19 H22 N4
InChI: InChI=1S/C19H22N4/c1-23(2)17-5-3-4-14(10-17)12-21-13-15-6-7-16-8-9-19(20)22-18(16)11-15/h3-11,21H,12-13H2,1-2H3,(H2,20,22)
InChIKey: SOVIURHDFSQRNW-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6CN(C)c1cccc(c1)CNCc2ccc3ccc(nc3c2)N
CACTVS 3.385CN(C)c1cccc(CNCc2ccc3ccc(N)nc3c2)c1
Name:7-[[[3-(dimethylamino)phenyl]methylamino]methyl]quinolin-2-amine
ChEMBL: CHEMBL4096369
ZINC: ZINC000584905571
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).