BioLiP

PDB

BioLiP

PDB CCD ID:

TOW

Number of entries in BioLiP:

Chemical formula:

C12 H14 Cl N3 O2

InChI:

InChI=1S/C12H14ClN3O2/c1-15(2)11-9-4-3-8(13)7-10(9)16(5-6-17)12(18)14-11/h3-4,7,17H,5-6H2,1-2H3

InChIKey:

FJRUQGUWEHZXSI-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	CN(C)C1=NC(=O)N(c2c1ccc(c2)Cl)CCO
CACTVS 3.385	CN(C)C1=NC(=O)N(CCO)c2cc(Cl)ccc12

Name:

7-chloranyl-4-(dimethylamino)-1-(2-hydroxyethyl)quinazolin-2-one

ChEMBL:

CHEMBL5086019

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).