BioLiP

PDB

BioLiP

PDB CCD ID:

MZM

Number of entries in BioLiP:

Chemical formula:

C5 H8 N4 O3 S2

InChI:

InChI=1S/C5H8N4O3S2/c1-3(10)7-4-9(2)8-5(13-4)14(6,11)12/h1-2H3,(H2,6,11,12)/b7-4-

InChIKey:

FLOSMHQXBMRNHR-DAXSKMNVSA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.4	CC(=O)/N=C\1/N(N=C(S1)S(=O)(=O)N)C
OpenEye OEToolkits 2.0.4	CC(=O)N=C1N(N=C(S1)S(=O)(=O)N)C
CACTVS 3.385	CN1N=C(SC1=NC(C)=O)[S](N)(=O)=O
ACDLabs 12.01	NS(=O)(=O)C=1S/C(N(N=1)C)=N\C(=O)C

Name:

N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2(3H)-ylidene)acetamide;
Methazolamide

ChEMBL:

CHEMBL288100

ZINC:

ZINC000012503151

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).