BioLiP

PDB

BioLiP

PDB CCD ID:

TBW

Number of entries in BioLiP:

Chemical formula:

C11 H12 N4 O3 S2

InChI:

InChI=1S/C11H12N4O3S2/c12-20(17,18)11-15-14-10(19-11)13-9(16)7-6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,12,17,18)(H,13,14,16)

InChIKey:

WHDSEJCOQPMZNM-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)CCC(=O)Nc2nnc(s2)S(=O)(=O)N
CACTVS 3.385	N[S](=O)(=O)c1sc(NC(=O)CCc2ccccc2)nn1
ACDLabs 12.01	O=S(N)(=O)c1nnc(NC(=O)CCc2ccccc2)s1

Name:

3-phenyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)propanamide

ChEMBL:

CHEMBL4741159

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).