BioLiP

PDB

BioLiP

PDB CCD ID:

TE3

Number of entries in BioLiP:

Chemical formula:

C10 H16 N4 O3 S2

InChI:

InChI=1S/C10H16N4O3S2/c11-19(16,17)10-14-13-9(18-10)12-8(15)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,11,16,17)(H,12,13,15)

InChIKey:

JUBREXAVHBVMRO-UHFFFAOYSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	C1CCC(CC1)CC(=O)Nc2nnc(s2)S(=O)(=O)N
ACDLabs 12.01	O=S(N)(=O)c1nnc(NC(=O)CC2CCCCC2)s1
CACTVS 3.385	N[S](=O)(=O)c1sc(NC(=O)CC2CCCCC2)nn1

Name:

2-cyclohexyl-N-(5-sulfamoyl-1,3,4-thiadiazol-2-yl)acetamide

ChEMBL:

CHEMBL4750765

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).