Details of the Drug

General Information of Drug (ID: DMDIYWV)

Drug Name
S-sulpho-L-cysteine
Synonyms
S-Sulfocysteine; S-Sulphocysteine; L-Cysteine S-sulfate; Cysteine-S-sulfate; S-Sulfo-L-cysteine; Cysteine-S-sulfonate; Cysteinyl-S-sulfonate; 1637-71-4; Cysteinyl-S-sulfonic acid; S-sulpho-L-cysteine; 3-(sulfosulfanyl)-l-alanine; Cysteine-S-Sulfonic Acid; UNII-885F2S42LL; L-Cysteine, S-sulfo-; CHEMBL457665; CHEBI:27891; 885F2S42LL; cysteine s-sulfate; Cysteine-S-sulphate; L-Cysteine, hydrogen sulfate (ester); L-Cysteine S-sulphate; S-Cysteinesulfonic acid; L-Cysteinesulfonic acid; L-Cysteine-S-sulfonate; Alaninethiosulfuric acid
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 201.2
Logarithm of the Partition Coefficient (xlogp) -4
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C3H7NO5S2
IUPAC Name
(2R)-2-amino-3-sulfosulfanylpropanoic acid
Canonical SMILES
C([C@@H](C(=O)O)N)SS(=O)(=O)O
InChI
InChI=1S/C3H7NO5S2/c4-2(3(5)6)1-10-11(7,8)9/h2H,1,4H2,(H,5,6)(H,7,8,9)/t2-/m0/s1
InChIKey
NOKPBJYHPHHWAN-REOHCLBHSA-N
Cross-matching ID
PubChem CID
115015
ChEBI ID
CHEBI:27891
CAS Number
1637-71-4
DrugBank ID
DB04370
TTD ID
D00EUE

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Bacterial Aspartate-semialdehyde dehydrogenase (Bact asd2) TTQWGU9 DHAS2_VIBCH Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Petrosamine B, an inhibitor of the Helicobacter pylori enzyme aspartyl semialdehyde dehydrogenase from the Australian sponge Oceanapia sp. J Nat Prod. 2005 May;68(5):804-6.