BioLiP

PDB

BioLiP

PDB CCD ID:

VGV

Number of entries in BioLiP:

Chemical formula:

C9 H14 N4 O3 S2

InChI:

InChI=1S/C9H14N4O3S2/c10-18(15,16)9-13-12-8(17-9)11-7(14)6-4-2-1-3-5-6/h6H,1-5H2,(H2,10,15,16)(H,11,12,14)

InChIKey:

JZWSZGVTKNYBGX-UHFFFAOYSA-N

SMILES:

Software	SMILES
CACTVS 3.385	N[S](=O)(=O)c1sc(NC(=O)C2CCCCC2)nn1
ACDLabs 12.01	C2CC(C(=O)Nc1nnc(S(N)(=O)=O)s1)CCC2
OpenEye OEToolkits 2.0.7	C1CCC(CC1)C(=O)Nc2nnc(s2)S(=O)(=O)N

Name:

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

ChEMBL:

CHEMBL4739913

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).