BioLiP

PDB

BioLiP

PDB CCD ID:

IJT

Number of entries in BioLiP:

Chemical formula:

C20 H20 N4 O

InChI:

InChI=1S/C20H20N4O/c1-14-20(23-17-11-7-6-10-16(17)21-14)25-13-19-22-18(12-24(19)2)15-8-4-3-5-9-15/h3-11,18H,12-13H2,1-2H3/t18-/m0/s1

InChIKey:

PHLMYYFMVZEYAM-SFHVURJKSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c(nc2ccccc2n1)OCC3=NC(CN3C)c4ccccc4
ACDLabs 12.01	CN1CC(N=C1COc1nc2ccccc2nc1C)c1ccccc1
CACTVS 3.385	CN1C[CH](N=C1COc2nc3ccccc3nc2C)c4ccccc4
CACTVS 3.385	CN1C[C@H](N=C1COc2nc3ccccc3nc2C)c4ccccc4

Name:

2-methyl-3-{[(4R)-1-methyl-4-phenyl-4,5-dihydro-1H-imidazol-2-yl]methoxy}quinoxaline

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).