BioLiP

PDB

BioLiP

PDB CCD ID:

9A8

Number of entries in BioLiP:

Chemical formula:

C17 H16 N2 O2

InChI:

InChI=1S/C17H16N2O2/c1-11(2)21-13-9-7-12(8-10-13)16-18-15-6-4-3-5-14(15)17(20)19-16/h3-11H,1-2H3,(H,18,19,20)

InChIKey:

COESBKQDPONYFC-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385 OpenEye OEToolkits 2.0.6	CC(C)Oc1ccc(cc1)C2=Nc3ccccc3C(=O)N2

Name:

2-(4-propan-2-yloxyphenyl)-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).