BioLiP

PDB

BioLiP

PDB CCD ID:

9CE

Number of entries in BioLiP:

Chemical formula:

C14 H11 N3 O

InChI:

InChI=1S/C14H11N3O/c15-11-7-3-1-5-9(11)13-16-12-8-4-2-6-10(12)14(18)17-13/h1-8H,15H2,(H,16,17,18)

InChIKey:

MDRBCQOOJMXHOC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Nc1ccccc1C2=Nc3ccccc3C(=O)N2
OpenEye OEToolkits 2.0.6	c1ccc(c(c1)C2=Nc3ccccc3C(=O)N2)N

Name:

2-(2-aminophenyl)-3~{H}-quinazolin-4-one

ZINC:

ZINC000020272894

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).