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Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM50162739
Substrate
n/a
Meas. Tech.
ChEMBL_305329 (CHEMBL833550)
IC50
37±n/a nM
Citation
 Zask, A; Kaplan, J; Du, X; MacEwan, G; Sandanayaka, V; Eudy, N; Levin, J; Jin, G; Xu, J; Cummons, T; Barone, D; Ayral-Kaloustian, S; Skotnicki, J Synthesis and SAR of diazepine and thiazepine TACE and MMP inhibitors. Bioorg Med Chem Lett 15:1641-5 (2005) [PubMed]  Article 
Target
Name:
Disintegrin and metalloproteinase domain-containing protein 17
Synonyms:
ADA17_HUMAN | ADAM17 | CSVP | Disintegrin and metalloproteinase domain-containing protein 17 (ADAM-17) | Disintegrin and metalloproteinase domain-containing protein 17 (ADAM17) | TACE | TNF-alpha convertase | TNF-alpha converting enzyme (TACE) | TNF-alpha-converting enzyme (TACE) | Tumor Necrosis Factor Alpha Converting Enzyme | Tumor necrosis factor-α converting enzyme (TACE)
Type:
Enzyme
Mol. Mass.:
93007.89
Organism:
Homo sapiens (Human)
Description:
Residue:
824
Sequence:
MRQSLLFLTSVVPFVLAPRPPDDPGFGPHQRLEKLDSLLSDYDILSLSNIQQHSVRKRDLQTSTHVETLLTFSALKRHFKLYLTSSTERFSQNFKVVVVDGKNESEYTVKWQDFFTGHVVGEPDSRVLAHIRDDDVIIRINTDGAEYNIEPLWRFVNDTKDKRMLVYKSEDIKNVSRLQSPKVCGYLKVDNEELLPKGLVDREPPEELVHRVKRRADPDPMKNTCKLLVVADHRFYRYMGRGEESTTTNYLIELIDRVDDIYRNTSWDNAGFKGYGIQIEQIRILKSPQEVKPGEKHYNMAKSYPNEEKDAWDVKMLLEQFSFDIAEEASKVCLAHLFTYQDFDMGTLGLAYVGSPRANSHGGVCPKAYYSPVGKKNIYLNSGLTSTKNYGKTILTKEADLVTTHELGHNFGAEHDPDGLAECAPNEDQGGKYVMYPIAVSGDHENNKMFSNCSKQSIYKTIESKAQECFQERSNKVCGNSRVDEGEECDPGIMYLNNDTCCNSDCTLKEGVQCSDRNSPCCKNCQFETAQKKCQEAINATCKGVSYCTGNSSECPPPGNAEDDTVCLDLGKCKDGKCIPFCEREQQLESCACNETDNSCKVCCRDLSGRCVPYVDAEQKNLFLRKGKPCTVGFCDMNGKCEKRVQDVIERFWDFIDQLSINTFGKFLADNIVGSVLVFSLIFWIPFSILVHCVDKKLDKQYESLSLFHPSNVEMLSSMDSASVRIIKPFPAPQTPGRLQPAPVIPSAPAAPKLDHQRMDTIQEDPSTDSHMDEDGFEKDPFPNSSTAAKSFEDLTDHPVTRSEKAASFKLQRQNRVDSKETEC
  
Inhibitor
Name:
BDBM50162739
Synonyms:
4-(4-(but-2-ynyloxy)phenylsulfonyl)-1-ethyl-N-hydroxy-1,4-diazepane-5-carboxamide | 4-(4-But-2-ynyloxy-benzenesulfonyl)-1-ethyl-[1,4]diazepane-5-carboxylic acid hydroxyamide | CHEMBL181208
Type:
Small organic molecule
Emp. Form.:
C18H25N3O5S
Mol. Mass.:
395.473
SMILES:
CCN1CCC(N(CC1)S(=O)(=O)c1ccc(OCC#CC)cc1)C(=O)NO
Structure:
Search PDB for entries with ligand similarity: