BioLiP

PDB

BioLiP

PDB CCD ID:

A1ADN

Number of entries in BioLiP:

Chemical formula:

C21 H16 N2 O

InChI:

InChI=1S/C21H16N2O/c1-15-11-13-17(14-12-15)23-20(16-7-3-2-4-8-16)22-19-10-6-5-9-18(19)21(23)24/h2-14H,1H3

InChIKey:

QBGIEWLTLCNRED-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1ccc(cc1)N2C(=O)c3ccccc3N=C2c4ccccc4
OpenEye OEToolkits 2.0.7	Cc1ccc(cc1)N2C(=Nc3ccccc3C2=O)c4ccccc4
ACDLabs 12.01	Cc1ccc(cc1)N1C(=Nc2ccccc2C1=O)c1ccccc1

Name:

3-(4-methylphenyl)-2-phenylquinazolin-4(3H)-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).