BioLiP

PDB

BioLiP

PDB CCD ID:

TO8

Number of entries in BioLiP:

Chemical formula:

C10 H10 Cl N3 O

InChI:

InChI=1S/C10H10ClN3O/c1-14(2)9-7-4-3-6(11)5-8(7)12-10(15)13-9/h3-5H,1-2H3,(H,12,13,15)

InChIKey:

DSCYGQFCBQYCTA-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)C1=NC(=O)Nc2c1ccc(c2)Cl
CACTVS 3.385	CN(C)C1=NC(=O)Nc2cc(Cl)ccc12

Name:

7-chloranyl-4-(dimethylamino)-1~{H}-quinazolin-2-one

ChEMBL:

CHEMBL5090541

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).