Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR2127)
Drug Name
Sulfate
Synonyms
Colistin Sulfate (mixture); SO4(2-); Sulfate (7CI,8CI,9CI); Sulfate (S-35); Sulfate (ion); Sulfate anion; Sulfate anion(2-); Sulfate dianion; Sulfate ion; Sulfate ions; Sulfate radical anion; Sulfate(2-); QAOWNCQODCNURD-UHFFFAOYSA-L; Sulfate-35S; Sulphate; Sulphate Ion; sulfate; sulfuric acid, ion(2-); tetraoxidosulfate(2-); tetraoxosulfate(2-); tetraoxosulfate(VI); 14808-79-8; 18785-72-3; 7IS9N8KPMG; AC1L1ARH; BDBM26992; CHEBI:16189; CHEMBL183495; CTK0H6976; DTXSID3042425; MFCD00145343; NCGC00248906-01; SO4--; SO4-2; SO42-; UNII-7IS9N8KPMG
Indication Discovery agent Investigative [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 96.07 Topological Polar Surface Area 88.6
Heavy Atom Count 5 Rotatable Bond Count 0
Hydrogen Bond Donor Count 0 Hydrogen Bond Acceptor Count 4
Cross-matching ID
PubChem CID
1117
ChEBI ID
CHEBI:16189
CAS Number
14808-79-8
TTD Drug ID
D03LWY
Formula
O4S-2
Canonical SMILES
[O-]S(=O)(=O)[O-]
InChI
1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
InChIKey
QAOWNCQODCNURD-UHFFFAOYSA-L
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Sulfurylase kinase 1 (PAPSS1) DME0455 Homo sapiens
PAPS1_HUMAN
2.7.7.4
[2]
Unclear metabolic mechanism (DME-unclear) DME1263 Desulfovibrio piger Not Available Not Available [3]
Unclear metabolic mechanism (DME-unclear) DME1409 Desulfovibrio alaskensis Not Available Not Available [3] , [4]
Unclear metabolic mechanism (DME-unclear) DME1410 Desulfovibrio desulfuricans Not Available Not Available [3] , [5]
Unclear metabolic mechanism (DME-unclear) DME1411 Desulfovibrio vulgaris Not Available Not Available [3] , [6]
Experimental Enzyme Kinetic Data of This Drug
DME Name DME Info Kinetic Data Uniprot ID REF
Sulfurylase kinase 1 (PAPSS1) DME0455 Km = 0.16 microM
PAPS1_HUMAN
[2]
References
1 Carbonic anhydrase inhibitors. Inhibition of the newly isolated murine isozyme XIII with anions. Bioorg Med Chem Lett. 2004 Nov 1;14(21):5435-9.
2 Human 3'-phosphoadenosine 5'-phosphosulfate synthetase (isoform 1, brain): kinetic properties of the adenosine triphosphate sulfurylase and adenosine 5'-phosphosulfate kinase domains. Biochemistry. 2004 Apr 13;43(14):4356-65.
3 A comparative genomic analysis of energy metabolism in sulfate reducing bacteria and archaea. Front Microbiol. 2011 Apr 19;2:69.
4 A glycyl radical enzyme enables hydrogen sulfide production by the human intestinal bacterium Bilophila wadsworthia. Proc Natl Acad Sci U S A. 2019 Feb 19;116(8):3171-3176.
5 Coordinated response of the Desulfovibrio desulfuricans 27774 transcriptome to nitrate, nitrite and nitric oxide. Sci Rep. 2017 Nov 24;7(1):16228.
6 Hybrid cluster proteins and flavodiiron proteins afford protection to Desulfovibrio vulgaris upon macrophage infection. J Bacteriol. 2013 Jun;195(11):2684-90.

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