SEQ2FUN

BioLiP

PDB CCD ID: JDW
Number of entries in BioLiP: 1
Chemical formula: C23 H24 N2
InChI: InChI=1S/C23H24N2/c1-3-24-20(15-13-18-9-5-7-11-22(18)24)17-21-16-14-19-10-6-8-12-23(19)25(21)4-2/h5-16H,3-4,17H2,1-2H3/q+2
InChIKey: LVEPVOGKAJXFDF-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
OpenEye OEToolkits 2.0.7CC[n+]1c(ccc2c1cccc2)Cc3ccc4ccccc4[n+]3CC
CACTVS 3.385CC[n+]1c(Cc2ccc3ccccc3[n+]2CC)ccc4ccccc14
Name:1-ethyl-2-[(1-ethylquinolin-2-yl)methyl]quinoline
ChEMBL: CHEMBL134361
ZINC: ZINC000027419987
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).