SEB

O-BENZYLSULFONYL-SERINE

Created: 1999-08-12
Last modified:  2024-09-27

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Chemical Details

Formal Charge0
Atom Count30
Chiral Atom Count1
Bond Count30
Aromatic Bond Count6
2D diagram of SEB

Chemical Component Summary

NameO-BENZYLSULFONYL-SERINE
Systematic Name (OpenEye OEToolkits)(2S)-2-amino-3-(phenylmethylsulfonyloxy)propanoic acid
FormulaC10 H13 N O5 S
Molecular Weight259.279
TypeL-PEPTIDE LINKING

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(O)C(N)COS(=O)(=O)Cc1ccccc1
SMILESCACTVS3.341N[CH](CO[S](=O)(=O)Cc1ccccc1)C(O)=O
SMILESOpenEye OEToolkits1.5.0c1ccc(cc1)CS(=O)(=O)OCC(C(=O)O)N
Canonical SMILESCACTVS3.341 N[C@@H](CO[S](=O)(=O)Cc1ccccc1)C(O)=O
Canonical SMILESOpenEye OEToolkits1.5.0 c1ccc(cc1)CS(=O)(=O)OC[C@@H](C(=O)O)N
InChIInChI1.03 InChI=1S/C10H13NO5S/c11-9(10(12)13)6-16-17(14,15)7-8-4-2-1-3-5-8/h1-5,9H,6-7,11H2,(H,12,13)/t9-/m0/s1
InChIKeyInChI1.03 GCZVEKLTOLTWLM-VIFPVBQESA-N

Drug Info: DrugBank

DrugBank IDDB01973 
NameO-Benzylsulfonyl-Serine
Groups experimental
SynonymsO-Benzylsulfonyl-Serine

Drug Targets

NameTarget SequencePharmacological ActionActions
Capsid scaffolding proteinMTMDEQQSQAVAPVYVGGFLARYDQSPDEAELLLPRDVVEHWLHAQGQGQ...unknowninhibitor
Subtilisin SavinaseAQSVPWGISRVQAPAAHNRGLTGSGVKVAVLDTGISTHPDLNIRGGASFV...unknown
Trypsin-2MNLLLILTFVAAAVAAPFDDDDKIVGGYICEENSVPYQVSLNSGYHFCGG...unknown
CarboxymethylenebutenolidaseMLTEGISIQSYDGHTFGALVGSPAKAPAPVIVIAQEIFGVNAFMRETVSW...unknown
Alkaline proteaseMKKPLGKIVASTALLISVAFSSSIASAAEEAKEKYLIGFNEQEAVSEFVE...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 17754162