BioLiP

PDB

BioLiP

PDB CCD ID:

IZQ

Number of entries in BioLiP:

Chemical formula:

C17 H13 Cl N4 O2

InChI:

InChI=1S/C17H13ClN4O2/c1-9-14-17(23)20-12-7-8-13(24-2)21-16(12)22(14)15(19-9)10-5-3-4-6-11(10)18/h3-8H,1-2H3,(H,20,23)

InChIKey:

IRRJEMPKRZZKFT-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1c2n(c(n1)c3ccccc3Cl)-c4c(ccc(n4)OC)NC2=O
CACTVS 3.385	COc1ccc2NC(=O)c3n(c2n1)c(nc3C)c4ccccc4Cl
ACDLabs 12.01	Clc1ccccc1c1nc(C)c2C(=O)Nc3ccc(OC)nc3n21

Name:

(10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6(5H)-one

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).