Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50332952
Substrate
n/a
Meas. Tech.
ChEMBL_694547 (CHEMBL1635956)
Ki
31±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:
BDBM50332952
Synonyms:
CHEMBL1233772 | N-hydroxy-2-(N-(2-hydroxyethyl)biphenyl-4-ylsulfonamido)acetamide | N~2~-(biphenyl-4-ylsulfonyl)-N-hydroxy-N~2~-(2-hydroxyethyl)glycinamide
Type:
Small organic molecule
Emp. Form.:
C16H18N2O5S
Mol. Mass.:
350.39
SMILES:
OCCN(CC(=O)NO)S(=O)(=O)c1ccc(cc1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: