BioLiP

PDB

BioLiP

PDB CCD ID:

IJN

Number of entries in BioLiP:

Chemical formula:

C19 H16 Cl N3 O2

InChI:

InChI=1S/C19H16ClN3O2/c1-11-18-22(2)19(24)14-9-8-12(25-3)10-16(14)23(18)17(21-11)13-6-4-5-7-15(13)20/h4-10H,1-3H3

InChIKey:

AHMFLINKVLCXJT-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	Clc1ccccc1c1nc(C)c2n1c1cc(OC)ccc1C(=O)N2C
OpenEye OEToolkits 2.0.7	Cc1c2n(c(n1)c3ccccc3Cl)-c4cc(ccc4C(=O)N2C)OC
CACTVS 3.385	COc1ccc2C(=O)N(C)c3n(c2c1)c(nc3C)c4ccccc4Cl

Name:

(10S)-1-(2-chlorophenyl)-8-methoxy-3,4-dimethylimidazo[1,5-a]quinazolin-5(4H)-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).