BioLiP

PDB

BioLiP

PDB CCD ID:

F36

Number of entries in BioLiP:

Chemical formula:

C16 H12 N2 O2

InChI:

InChI=1S/C16H12N2O2/c1-10(19)11-6-8-12(9-7-11)15-17-14-5-3-2-4-13(14)16(20)18-15/h2-9H,1H3,(H,17,18,20)

InChIKey:

VLRQJLLWRMXGLP-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 1.9.2	CC(=O)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
ACDLabs 12.01	O=C(c3ccc(C2=Nc1c(cccc1)C(=O)N2)cc3)C

Name:

2-(4-acetylphenyl)-3,4-dihydroquinazolin-4-one

ZINC:

ZINC000048603441

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).