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- BIRD-PRD_000316: METHOXYSUCCINYL-ALA-ALA-PRO-VALINE BORONIC ACID -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_000316
StatusStatus: REF ONLY
NameMETHOXYSUCCINYL-ALA-ALA-PRO-VALINE BORONIC ACID

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BIRD information

TypePeptide-like / Inhibitor
DownloadsMolecular definition / Chemical definition / Family definition
Synonyms
  • (R)-N-(4-Methoxy-1,4-dioxobutyl)-L-alanyl-L-alanyl-N-(1-borono-2-methylpropyl)-L-prolinamide (ChemSpider)
  • Maap-borov (PubChem)
  • Maap-borovthoxy-1,4-dioxobutyl)-L-alanyl-L-alanyl-N-(1-borono-2-methylpropyl)-L-prolinamide (ChemSpider)
  • Meosuc-ala-ala-pro-boroval (PubChem)
  • Meosuc-ala-ala-pro-borovalutyl)-L-alanyl-L-alanyl-N-(1-borono-2-methylpropyl)-L-prolinamide (ChemSpider)
  • O-Methyl-succinyl-alanyl-alanyl-prolyl-borovaline (PubChem)
  • O-Methyl-succinyl-alanyl-alanyl-prolyl-borovaline-N-(1-borono-2-methylpropyl)-L-prolinamide (ChemSpider)
  • [(1R)-1-[[(2S)-1-[(2S)-2-[2-[(4-methoxy-4-oxobutanoyl)amino]propanoylamino]propanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropyl] boronic acid (PubChem)
  • [(1R)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[(4-methoxy-4-oxobutanoyl)amino]propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl] amino]-2-methylpropyl] boronic acid (PubChem)
Annotation
  • Function: inhibitor of alpha-lytic protease , EC: 3.4.21.12EC: inhibitor of alpha-lytic protease , EC: 3.4.21.12 / Info source: PubMed: 2611204
External info
FamilyAAP-boronic acid inhibitors

MeOSuc-Ala-Ala-Pro-boroIle / METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID / O-methylsuccinyl-alanyl-alanyl-prolyl-borophenylalanine ...MeOSuc-Ala-Ala-Pro-boroIle / METHOXYSUCCINYL-ALA-ALA-PRO-ALANINE BORONIC ACID / O-methylsuccinyl-alanyl-alanyl-prolyl-borophenylalanine / METHOXYSUCCINYL-ALA-ALA-PRO-VALINE BORONIC ACID / N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-prolinamide / N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)pentyl]-L-prolinamide

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Chemical information

Composition
Formula: C20H35BN4O8 / Formula weight: 470.325
OthersType: peptide-like
History
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 12.01O=C(NC(B(O)O)C(C)C)C1N(C(=O)C(NC(=O)C(NC(=O)CCC(=O)OC)C)C)CCC1
CACTVS 3.370COC(=O)CCC(=O)N[CH](C)C(=O)N[CH](C)C(=O)N1CCC[CH]1C(=O)N[CH](B(O)O)C(C)C
OpenEye OEToolkits 1.7.6B(C(C(C)C)NC(=O)C1CCCN1C(=O)C(C)NC(=O)C(C)NC(=O)CCC(=O)OC)(O)O

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SMILES CANONICAL

CACTVS 3.370COC(=O)CCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N[C@H](B(O)O)C(C)C
OpenEye OEToolkits 1.7.6B([C@H](C(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)CCC(=O)OC)(O)O

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InChI

InChI 1.03InChI=1S/C20H35BN4O8/c1-11(2)17(21(31)32)24-19(29)14-7-6-10-25(14)20(30)13(4)23-18(28)12(3)22-15(26)8-9-16(27)33-5/h11-14,17,31-32H,6-10H2,1-5H3,(H,22,26)(H,23,28)(H,24,29)/t12-,13?,14?,17-/m0/s1

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InChIKey

InChI 1.03YPHQJTAKLOESOF-VWLISTAJSA-N

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SYSTEMATIC NAME

ACDLabs 12.01N-(4-methoxy-4-oxobutanoyl)-L-alanyl-L-alanyl-N-[(1R)-1-(dihydroxyboranyl)-2-methylpropyl]-L-prolinamide
OpenEye OEToolkits 1.7.6[(1R)-1-[[(2S)-1-[(2S)-2-[[(2S)-2-[(4-methoxy-4-oxidanylidene-butanoyl)amino]propanoyl]amino]propanoyl]pyrrolidin-2-yl]carbonylamino]-2-methyl-propyl]boronic acid

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PDB entries

Showing all 4 items

PDB-1p03:
STRUCTURE ANALYSIS OF SPECIFICITY. ALPHA-LYTIC PROTEASE COMPLEXES WITH ANALOGUES OF REACTION INTERMEDIATES

PDB-1p10:
STRUCTURAL PLASTICITY AS A DETERMINANT OF ENZYME SPECIFICITY. CREATING BROADLY SPECIFIC PROTEASES

PDB-2h5d:
0.9A resolution crystal structure of alpha-lytic protease complexed with a transition state analogue, MeOSuc-Ala-Ala-Pro-Val boronic acid

PDB-2lpr:
STRUCTURAL BASIS FOR BROAD SPECIFICITY IN ALPHA-LYTIC PROTEASE MUTANTS

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