BioLiP

PDB

BioLiP

PDB CCD ID:

IEX

Number of entries in BioLiP:

Chemical formula:

C26 H22 N4

InChI:

InChI=1S/C26H22N4/c1-19-22(28-24-15-9-8-14-23(24)27-19)16-17-26-29-25(20-10-4-2-5-11-20)18-30(26)21-12-6-3-7-13-21/h2-15,18H,16-17H2,1H3

InChIKey:

SFTYFZCRCKRNOL-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(nc2ccccc2n1)CCc3nc(cn3c4ccccc4)c5ccccc5
ACDLabs 12.01	Cc1nc2ccccc2nc1CCc1nc(cn1c1ccccc1)c1ccccc1
CACTVS 3.385	Cc1nc2ccccc2nc1CCc3nc(cn3c4ccccc4)c5ccccc5

Name:

2-[2-(1,4-diphenyl-1H-imidazol-2-yl)ethyl]-3-methylquinoxaline

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).