SEQ2FUN

BioLiP

PDB CCD ID: ML6
Number of entries in BioLiP: 4
Chemical formula: C19 H20 F N3
InChI: InChI=1S/C19H20FN3/c20-17-5-1-3-14(11-17)4-2-10-22-13-15-6-7-16-8-9-19(21)23-18(16)12-15/h1,3,5-9,11-12,22H,2,4,10,13H2,(H2,21,23)
InChIKey: QIPUHKWELQSESM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 1.7.6c1cc(cc(c1)F)CCCNCc2ccc3ccc(nc3c2)N
CACTVS 3.385Nc1ccc2ccc(CNCCCc3cccc(F)c3)cc2n1
ACDLabs 12.01Fc1cccc(c1)CCCNCc2cc3nc(ccc3cc2)N
Name:7-({[3-(3-fluorophenyl)propyl]amino}methyl)quinolin-2-amine
ChEMBL: CHEMBL3139608
ZINC: ZINC000098209181
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).