Target
Macrophage metalloelastase
Ligand
BDBM50265078
Substrate
n/a
Meas. Tech.
ChEMBL_935207 (CHEMBL2317576)
pH
6.8±n/a
Ki
0.240000±n/a nM
Comments
extracted
Citation
 Czarny, BStura, EADevel, LVera, LCassar-Lajeunesse, EBeau, FCalderone, VFragai, MLuchinat, CDive, V Molecular determinants of a selective matrix metalloprotease-12 inhibitor: insights from crystallography and thermodynamic studies. J Med Chem 56:1149-59 (2013) [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:
BDBM50265078
Synonyms:
(4S)-5-amino-4-((2S)-2-((2S)-3-((4-bromophenyl)(hydroxy)phosphoryl)-2-((3-(3'-chlorobiphenyl-4-yl)isoxazol-5-yl)methyl)propanamido)-4-carboxybutanamido)-5-oxopentanoic acid | CHEMBL507420
Type:
Small organic molecule
Emp. Form.:
C35H35BrClN4O10P
Mol. Mass.:
818.004
SMILES:
NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1cc(no1)-c1ccc(cc1)-c1cccc(Cl)c1)CP(O)(=O)c1ccc(Br)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: