Details of the Drug

General Information of Drug (ID: DMXLZUA)

• Drug Name: 2-Amino-3-Oxo-4-Sulfo-Butyric Acid

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 199.14
  Logarithm of the Partition Coefficient (xlogp); -4.2
  Rotatable Bond Count (rotbonds); 4
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 8
• Chemical Identifiers:
  Formula: C3H5NO7S
  IUPAC Name: (2S)-2-amino-3-oxo-3-sulfooxypropanoic acid
  Canonical SMILES: [C@H](C(=O)O)(C(=O)OS(=O)(=O)O)N
  InChI: InChI=1S/C3H5NO7S/c4-1(2(5)6)3(7)11-12(8,9)10/h1H,4H2,(H,5,6)(H,8,9,10)/t1-/m0/s1
  InChIKey: RZIKAUMRZOEFET-SFOWXEAESA-N
• Cross-matching ID:
  PubChem CID: 46936475
  DrugBank ID: DB02735
  TTD ID: D07GRM

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Steryl-sulfatase (STS)	TTHM0R1	STS_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Steryl-sulfatase (STS)	DTT	STS	1.80E-38	-0.79	-1.15

References

• [1] How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.