Reaction Details  Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50332947
Substrate
n/a
Meas. Tech.
ChEMBL_694547 (CHEMBL1635956)
Ki
8±n/a nM
Citation
 Attolino, E; Calderone, V; Dragoni, E; Fragai, M; Richichi, B; Luchinat, C; Nativi, C Structure-based approach to nanomolar, water soluble matrix metalloproteinases inhibitors (MMPIs). Eur J Med Chem 45:5919-25 (2010) [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:
BDBM50332947
Synonyms:
(S)-2-(N-(2,3-dihydroxypropyl)-4-methoxyphenylsulfonamido)-N-hydroxyacetamide | CHEMBL1632637
Type:
Small organic molecule
Emp. Form.:
C12H18N2O7S
Mol. Mass.:
334.346
SMILES:
COc1ccc(cc1)S(=O)(=O)N(C[C@H](O)CO)CC(=O)NO |r|
Structure:
Search PDB for entries with ligand similarity: