CAF

S-DIMETHYLARSINOYL-CYSTEINE

Created: 2001-01-30
Last modified:  2024-09-27

Find related ligands:

Chemical Details

Formal Charge0
Atom Count23
Chiral Atom Count1
Bond Count22
Aromatic Bond Count0
2D diagram of CAF

Chemical Component Summary

NameS-DIMETHYLARSINOYL-CYSTEINE
SynonymsCYSTEIN-S-YL CACODYLATE
Systematic Name (OpenEye OEToolkits)(2R)-2-amino-3-dimethylarsorylsulfanyl-propanoic acid
FormulaC5 H12 As N O3 S
Molecular Weight241.14
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(N)CS[As](=O)(C)C
SMILESCACTVS3.341C[As](C)(=O)SC[CH](N)C(O)=O
SMILESOpenEye OEToolkits1.5.0C[As](=O)(C)SCC(C(=O)O)N
Canonical SMILESCACTVS3.341 C[As](C)(=O)SC[C@H](N)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 C[As](=O)(C)SC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C5H12AsNO3S/c1-6(2,10)11-3-4(7)5(8)9/h4H,3,7H2,1-2H3,(H,8,9)/t4-/m0/s1
InChIKeyInChI1.03 HBKZDQYWGRUTJX-BYPYZUCNSA-N

Drug Info: DrugBank

DrugBank IDDB03676 
NameCystein-S-Yl Cacodylate
Groups experimental
SynonymsCystein-S-Yl Cacodylate

Drug Targets

NameTarget SequencePharmacological ActionActions
Gag-Pol polyproteinMGARASVLSGGELDKWEKIRLRPGGKKQYKLKHIVWASRELERFAVNPGL...unknown
Proteinase inhibitor I4, serpinMSGGFLRDDHLEFALHLHRRLAEAVPDGEVIWSPYSVACALGVLAAGARA...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682

Related Resource References

Resource NameReference
PubChem 17753879