BioLiP

PDB

BioLiP

PDB CCD ID:

9B2

Number of entries in BioLiP:

Chemical formula:

C19 H19 N3 O

InChI:

InChI=1S/C19H19N3O/c23-19-16-6-2-3-7-17(16)20-18(21-19)14-8-10-15(11-9-14)22-12-4-1-5-13-22/h2-3,6-11H,1,4-5,12-13H2,(H,20,21,23)

InChIKey:

CVOACSZXXZBJFG-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.6	c1ccc2c(c1)C(=O)NC(=N2)c3ccc(cc3)N4CCCCC4
CACTVS 3.385	O=C1NC(=Nc2ccccc12)c3ccc(cc3)N4CCCCC4

Name:

2-(4-piperidin-1-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).