Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM28472
Substrate
BDBM28488
Meas. Tech.
MMP Inhibition Assay
pH
7.5±n/a
Temperature
295.15±n/a K
IC50
4.7±n/a nM
Citation
Li, W; Li, J; Wu, Y; Wu, J; Hotchandani, R; Cunningham, K; McFadyen, I; Bard, J; Morgan, P; Schlerman, F; Xu, X; Tam, S; Goldman, SJ; Williams, C; Sypek, J; Mansour, TS A selective matrix metalloprotease 12 inhibitor for potential treatment of chronic obstructive pulmonary disease (COPD): discovery of (S)-2-(8-(methoxycarbonylamino)dibenzo[b,d]furan-3-sulfonamido)-3-methylbutanoic acid (MMP408). J Med Chem 52:1799-802 (2009) [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:
BDBM28472
Synonyms:
(2S)-3-methyl-2-[(12-{[(2-methylpropoxy)carbonyl]amino}-8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene-5-)sulfonamido]butanoic acid | dibenzofuran (DBF) scaffold, (S)-17
Type:
Small organic molecule
Emp. Form.:
C22H26N2O7S
Mol. Mass.:
462.516
SMILES:
CC(C)COC(=O)Nc1ccc2oc3cc(ccc3c2c1)S(=O)(=O)N[C@@H](C(C)C)C(O)=O |r|