Reaction Details
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Macrophage metalloelastase
Ligand
BDBM29020
Substrate
BDBM10852
Meas. Tech.
Dissociation Constants (KD) Measurements
pH
7.2±n/a
Temperature
298.15±n/a K
Kd
>10000000±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 More Info.:
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:
BDBM29020
Synonyms:
(1S,5S,7R)-3-benzyl-6,8-dioxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid | 3-azadioxabicyclooctane derivative, 22
Type:
Small organic molecule
Emp. Form.:
C13H15NO4
Mol. Mass.:
249.2625
SMILES:
OC(=O)[C@@H]1O[C@H]2CN(Cc3ccccc3)C[C@@H]1O2 |r|
Structure:
Substrate