BioLiP

PDB

BioLiP

PDB CCD ID:

EZB

Number of entries in BioLiP:

Chemical formula:

C18 H13 N3 O

InChI:

InChI=1S/C18H13N3O/c1-11-12(7-8-16-17(11)18(22)21-10-20-16)13-4-2-6-15-14(13)5-3-9-19-15/h2-10H,1H3,(H,20,21,22)

InChIKey:

UUGUFBFLQOTDIV-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	Cc1c(ccc2N=CNC(=O)c12)c3cccc4ncccc34
OpenEye OEToolkits 2.0.6	Cc1c(ccc2c1C(=O)NC=N2)c3cccc4c3cccn4

Name:

5-methyl-6-quinolin-5-yl-3~{H}-quinazolin-4-one

ChEMBL:

CHEMBL4250114

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).