BioLiP

PDB

BioLiP

PDB CCD ID:

VM3

Number of entries in BioLiP:

Chemical formula:

C20 H15 Cl N2

InChI:

InChI=1S/C20H15ClN2/c21-16-7-5-15(6-8-16)20(9-10-20)18-13-14-3-1-2-4-17(14)19-22-11-12-23(18)19/h1-8,11-13H,9-10H2

InChIKey:

ASWUWXCCIBIVFW-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc2c(c1)cc(n3c2ncc3)C4(CC4)c5ccc(cc5)Cl
CACTVS 3.385	Clc1ccc(cc1)C2(CC2)c3cc4ccccc4c5nccn35

Name:

5-[1-(4-chlorophenyl)cyclopropyl]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).