BioLiP

PDB

BioLiP

PDB CCD ID:

9AW

Number of entries in BioLiP:

Chemical formula:

C19 H13 N3 O

InChI:

InChI=1S/C19H13N3O/c23-19-15-5-1-2-7-17(15)21-18(22-19)14-10-8-13(9-11-14)16-6-3-4-12-20-16/h1-12H,(H,21,22,23)

InChIKey:

YFPZUOWERSWGPK-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)c4ccccn4
CACTVS 3.385	O=C1NC(=Nc2ccccc12)c3ccc(cc3)c4ccccn4

Name:

2-(4-pyridin-2-ylphenyl)-3~{H}-quinazolin-4-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).