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Target
A disintegrin and metalloproteinase with thrombospondin motifs 4
Ligand
BDBM50337737
Substrate
n/a
Meas. Tech.
ChEMBL_728834 (CHEMBL1686369)
IC50
1.9±n/a nM
Citation
 De Savi, C; Pape, A; Cumming, JG; Ting, A; Smith, PD; Burrows, JN; Mills, M; Davies, C; Lamont, S; Milne, D; Cook, C; Moore, P; Sawyer, Y; Gerhardt, S The design and synthesis of novel N-hydroxyformamide inhibitors of ADAM-TS4 for the treatment of osteoarthritis. Bioorg Med Chem Lett 21:1376-81 (2011) [PubMed]  Article 
Target
Name:
A disintegrin and metalloproteinase with thrombospondin motifs 4
Synonyms:
Aggrecanase-1 | Metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) | A disintegrin and metalloproteinase with thrombospondin motifs 4 (ADAMTS-4) | ATS4_HUMAN | ADAMTS4 | KIAA0688
Type:
Enzyme
Mol. Mass.:
90214.54
Organism:
Human
Description:
O75173
Residue:
837
Sequence:
MSQTGSHPGRGLAGRWLWGAQPCLLLPIVPLSWLVWLLLLLLASLLPSARLASPLPREEEIVFPEKLNGSVLPGSGAPARLLCRLQAFGETLLLELEQDSGVQVEGLTVQYLGQAPELLGGAEPGTYLTGTINGDPESVASLHWDGGALLGVLQYRGAELHLQPLEGGTPNSAGGPGAHILRRKSPASGQGPMCNVKAPLGSPSPRPRRAKRFASLSRFVETLVVADDKMAAFHGAGLKRYLLTVMAAAAKAFKHPSIRNPVSLVVTRLVILGSGEEGPQVGPSAAQTLRSFCAWQRGLNTPEDSDPDHFDTAILFTRQDLCGVSTCDTLGMADVGTVCDPARSCAIVEDDGLQSAFTAAHELGHVFNMLHDNSKPCISLNGPLSTSRHVMAPVMAHVDPEEPWSPCSARFITDFLDNGYGHCLLDKPEAPLHLPVTFPGKDYDADRQCQLTFGPDSRHCPQLPPPCAALWCSGHLNGHAMCQTKHSPWADGTPCGPAQACMGGRCLHMDQLQDFNIPQAGGWGPWGPWGDCSRTCGGGVQFSSRDCTRPVPRNGGKYCEGRRTRFRSCNTEDCPTGSALTFREEQCAAYNHRTDLFKSFPGPMDWVPRYTGVAPQDQCKLTCQAQALGYYYVLEPRVVDGTPCSPDSSSVCVQGRCIHAGCDRIIGSKKKFDKCMVCGGDGSGCSKQSGSFRKFRYGYNNVVTIPAGATHILVRQQGNPGHRSIYLALKLPDGSYALNGEYTLMPSPTDVVLPGAVSLRYSGATAASETLSGHGPLAQPLTLQVLVAGNPQDTRLRYSFFVPRPTPSTPRPTPQDWLHRRAQILEILRRRPWAGRK
  
Inhibitor
Name:
BDBM50337737
Synonyms:
N-((2S,4S)-1-(4-(2-(2,5-dimethylpyridin-3-yl)ethyl)piperidin-1-ylsulfonyl)-4-(5-fluoropyrimidin-2-yl)-2-methylpentan-2-yl)-N-hydroxyformamide | CHEMBL1683459 | US10322143, Compound 8l
Type:
Small organic molecule
Emp. Form.:
C25H36FN5O4S
Mol. Mass.:
n/a
SMILES:
C[C@@H](C[C@@](C)(CS(=O)(=O)N1CCC(CCc2cc(C)cnc2C)CC1)N(O)C=O)c1ncc(F)cn1 |r|
Structure:
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