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Target
Macrophage metalloelastase
Ligand
BDBM29016
Substrate
Fluorescence-quenched peptide substrate
Meas. Tech.
Dissociation Constants (KD) Measurements and Enzyme Inhibition Assay (IC50)
pH
7±n/a
Temperature
298.15±n/a K
IC50
425000±n/a nM
Kd
>500000±n/a nM
Citation
 Mannino, C; Nievo, M; Machetti, F; Papakyriakou, A; Calderone, V; Fragai, M; Guarna, A Synthesis of bicyclic molecular scaffolds (BTAa): an investigation towards new selective MMP-12 inhibitors. Bioorg Med Chem 14:7392-403 (2006) [PubMed]  Article 
Target
Name:
Macrophage metalloelastase
Synonyms:
HME | MMP12 | MMP12_HUMAN | Matrix metalloproteinase 12 | Matrix metalloproteinase-12 (MMP 12) | Matrix metalloproteinase-12 (MMP-12) | Matrix metalloproteinase-12 (MMP12) | Matrix metalloproteinases 12 (MMP-12)
Type:
Enzyme
Mol. Mass.:
54012.99
Organism:
Homo sapiens (Human)
Description:
P39900
Residue:
470
Sequence:
MKFLLILLLQATASGALPLNSSTSLEKNNVLFGERYLEKFYGLEINKLPVTKMKYSGNLMKEKIQEMQHFLGLKVTGQLDTSTLEMMHAPRCGVPDVHHFREMPGGPVWRKHYITYRINNYTPDMNREDVDYAIRKAFQVWSNVTPLKFSKINTGMADILVVFARGAHGDFHAFDGKGGILAHAFGPGSGIGGDAHFDEDEFWTTHSGGTNLFLTAVHEIGHSLGLGHSSDPKAVMFPTYKYVDINTFRLSADDIRGIQSLYGDPKENQRLPNPDNSEPALCDPNLSFDAVTTVGNKIFFFKDRFFWLKVSERPKTSVNLISSLWPTLPSGIEAAYEIEARNQVFLFKDDKYWLISNLRPEPNYPKSIHSFGFPNFVKKIDAAVFNPRFYRTYFFVDNQYWRYDERRQMMDPGYPKLITKNFQGIGPKIDAVFYSKNKYYYFFQGSNQFEYDFLLQRITKTLKSNSWFGC
  
Inhibitor
Name:
BDBM29016
Synonyms:
(1R,5S,7R)-N-hydroxy-2-oxo-3-[(4-phenylphenyl)methyl]-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxamide | 3-azadioxabicyclooctane derivative, 11
Type:
Small organic molecule
Emp. Form.:
C19H18N2O5
Mol. Mass.:
354.3566
SMILES:
ONC(=O)[C@@H]1O[C@H]2CN(Cc3ccc(cc3)-c3ccccc3)C(=O)[C@@H]1O2 |r|
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
Fluorescence-quenched peptide substrate
Synonyms:
n/a
Type:
Peptide
Mol. Mass.:
2468.31
Organism:
n/a
Description:
n/a
Residue:
23
Sequence:
MCAPRLEGLYLEDPAALAARGNH