BioLiP

PDB

BioLiP

PDB CCD ID:

VM8

Number of entries in BioLiP:

Chemical formula:

C21 H20 N2

InChI:

InChI=1S/C21H20N2/c1-21(2,15-16-8-4-3-5-9-16)19-14-17-10-6-7-11-18(17)20-22-12-13-23(19)20/h3-14H,15H2,1-2H3

InChIKey:

XLRFROIINIWWJO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CC(C)(Cc1ccccc1)c2cc3ccccc3c4n2ccn4
CACTVS 3.385	CC(C)(Cc1ccccc1)c2cc3ccccc3c4nccn24

Name:

5-(2-methyl-1-phenyl-propan-2-yl)imidazo[2,1-a]isoquinoline

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).