Reaction Details Report a problem with these data
Target
Macrophage metalloelastase
Ligand
BDBM50104712
Substrate
n/a
Meas. Tech.
ChEMBL_106458 (CHEMBL719130)
Ki
110±n/a nM
Citation
 Schröder, J; Henke, A; Wenzel, H; Brandstetter, H; Stammler, HG; Stammler, A; Pfeiffer, WD; Tschesche, H Structure-based design and synthesis of potent matrix metalloproteinase inhibitors derived from a 6H-1,3,4-thiadiazine scaffold. J Med Chem 44:3231-43 (2001) [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:
BDBM50104712
Synonyms:
(S)-2-(phenylsulfonamido)-N-(5-p-tolyl-6H-1,3,4-thiadiazin-2-yl)propanamide | 2-Benzenesulfonylamino-N-(5-p-tolyl-6H-[1,3,4]thiadiazin-2-yl)-propionamide | CHEMBL109655
Type:
Small organic molecule
Emp. Form.:
C19H20N4O3S2
Mol. Mass.:
416.517
SMILES:
C[C@H](NS(=O)(=O)c1ccccc1)C(=O)NC1=NN=C(CS1)c1ccc(C)cc1 |c:18,t:16|
Structure:
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