BioLiP

PDB

BioLiP

PDB CCD ID:

14Z

Number of entries in BioLiP:

Chemical formula:

C11 H15 N3 O3 S

InChI:

InChI=1S/C11H15N3O3S/c1-3-12-18(16,17)9-4-5-10-8(6-9)7-14(2)11(15)13-10/h4-6,12H,3,7H2,1-2H3,(H,13,15)

InChIKey:

AUPWODYXIHOKFV-UHFFFAOYSA-N

SMILES:

Software	SMILES
ACDLabs 12.01	O=S(=O)(c1ccc2NC(=O)N(Cc2c1)C)NCC
OpenEye OEToolkits 1.7.6	CCNS(=O)(=O)c1ccc2c(c1)CN(C(=O)N2)C
CACTVS 3.370	CCN[S](=O)(=O)c1ccc2NC(=O)N(C)Cc2c1

Name:

N-ethyl-3-methyl-2-oxo-1,2,3,4-tetrahydroquinazoline-6-sulfonamide

ChEMBL:

CHEMBL2179383

ZINC:

ZINC000095572222

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).