Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50466702
Substrate
n/a
Meas. Tech.
ChEMBL_1793824 (CHEMBL4265743)
IC50
65±n/a nM
Citation
 Cuffaro, D; Camodeca, C; D'Andrea, F; Piragine, E; Testai, L; Calderone, V; Orlandini, E; Nuti, E; Rossello, A Matrix metalloproteinase-12 inhibitors: synthesis, structure-activity relationships and intestinal absorption of novel sugar-based biphenylsulfonamide carboxylates. Bioorg Med Chem 26:5804-5815 (2018) [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:
BDBM50466702
Synonyms:
CHEMBL4279699
Type:
Small organic molecule
Emp. Form.:
C27H37N3O9S2
Mol. Mass.:
611.727
SMILES:
CO[C@@H]1O[C@H](CNC(=S)NCCN([C@H](C(C)C)C(O)=O)S(=O)(=O)c2ccc(cc2)-c2ccccc2)[C@@H](O)[C@H](O)[C@H]1O |r|
Structure:
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