BioLiP

PDB

BioLiP

PDB CCD ID:

Y8X

Number of entries in BioLiP:

Chemical formula:

C15 H13 Cl N2 O

InChI:

InChI=1S/C15H13ClN2O/c1-9-4-2-5-10(8-9)14-17-12-7-3-6-11(16)13(12)15(19)18-14/h2-8,14,17H,1H3,(H,18,19)/t14-/m0/s1

InChIKey:

OBDBCXGMLSMARG-AWEZNQCLSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	Cc1cccc(c1)[C@H]2Nc3cccc(c3C(=O)N2)Cl
CACTVS 3.385	Cc1cccc(c1)[C@@H]2NC(=O)c3c(Cl)cccc3N2
ACDLabs 12.01	Cc1cccc(c1)C1Nc2cccc(Cl)c2C(=O)N1
OpenEye OEToolkits 2.0.7	Cc1cccc(c1)C2Nc3cccc(c3C(=O)N2)Cl
CACTVS 3.385	Cc1cccc(c1)[CH]2NC(=O)c3c(Cl)cccc3N2

Name:

(2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-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).