P5A

'5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINE

Created: 2003-01-07
Last modified:  2011-06-04

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Chemical Details

Formal Charge0
Atom Count51
Chiral Atom Count5
Bond Count54
Aromatic Bond Count10
2D diagram of P5A
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Chemical Component Summary

Name'5'-O-(N-(L-PROLYL)-SULFAMOYL)ADENOSINE
Systematic Name (OpenEye OEToolkits)[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl N-[(2S)-pyrrolidin-2-yl]carbonylsulfamate
FormulaC15 H21 N7 O7 S
Molecular Weight443.435
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs10.04O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C4NCCC4
SMILESCACTVS3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[S](=O)(=O)NC(=O)[CH]4CCCN4)[CH](O)[CH]3O
SMILESOpenEye OEToolkits1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COS(=O)(=O)NC(=O)C4CCCN4)O)O)N
Canonical SMILESCACTVS3.341 Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[S](=O)(=O)NC(=O)[C@@H]4CCCN4)[C@@H](O)[C@H]3O
Canonical SMILESOpenEye OEToolkits1.5.0 c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COS(=O)(=O)NC(=O)[C@@H]4CCCN4)O)O)N
InChIInChI1.03 InChI=1S/C15H21N7O7S/c16-12-9-13(19-5-18-12)22(6-20-9)15-11(24)10(23)8(29-15)4-28-30(26,27)21-14(25)7-2-1-3-17-7/h5-8,10-11,15,17,23-24H,1-4H2,(H,21,25)(H2,16,18,19)/t7-,8+,10+,11+,15+/m0/s1
InChIKeyInChI1.03 LKVJEMXWEODCAY-JVEUSOJLSA-N

Drug Info: DrugBank

DrugBank IDDB02510 
Name5'-O-(L-Prolylsulfamoyl)adenosine
Groups experimental
Synonyms5'-O-(L-Prolylsulfamoyl)adenosine

Drug Targets

NameTarget SequencePharmacological ActionActions
Bifunctional glutamate/proline--tRNA ligaseMATLSLTVNSGDPPLGALLAVEHVKDDVSISVEEGKENILHVSENVIFTD...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 44576934, 447378
ChEMBL CHEMBL1163086