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Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM113967
Substrate
n/a
Meas. Tech.
Counterscreen for exosite inhibitors of ADAM10: QFRET-based biochemical high throughput dose response assay to identify inhibitors of ADAM17
IC50
69473±n/a nM
Citation
 PubChem, PC Counterscreen for exosite inhibitors of ADAM10: QFRET-based biochemical high throughput dose response assay to identify inhibitors of ADAM17 PubChem Bioassay (2014)[AID] 
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:
BDBM113967
Synonyms:
(4S)-3-[2-(4-ethoxyphenyl)ethyl]-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-(4-hydroxyphenyl)-3-[(2R)-2-[[(5S)-5-(2-methylpropyl)-2-sulfanylidene-1-imidazolidinyl]methyl]-1-pyrrolidinyl]propan-2-yl]-2-imidazolidinethione | (4S)-3-[2-(4-ethoxyphenyl)ethyl]-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-(4-hydroxyphenyl)-3-[(2R)-2-[[(5S)-5-(2-methylpropyl)-2-sulfanylidene-imidazolidin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]imidazolidine-2-thione | (4S)-3-[2-(4-ethoxyphenyl)ethyl]-4-[(4-hydroxyphenyl)methyl]-1-[(2S)-1-(4-hydroxyphenyl)-3-[(2R)-2-[[(5S)-5-(2-methylpropyl)-2-sulfanylideneimidazolidin-1-yl]methyl]pyrrolidin-1-yl]propan-2-yl]imidazolidine-2-thione | (4S)-4-(4-hydroxybenzyl)-1-[(1S)-1-(4-hydroxybenzyl)-2-[(2R)-2-[[(5S)-5-isobutyl-2-thioxo-imidazolidin-1-yl]methyl]pyrrolidino]ethyl]-3-(2-p-phenetylethyl)imidazolidine-2-thione | MLS003177399 | SMR001881178 | cid_51359471
Type:
Small organic molecule
Emp. Form.:
C41H55N5O3S2
Mol. Mass.:
730.037
SMILES:
CCOc1ccc(CCN2[C@@H](Cc3ccc(O)cc3)CN([C@H](CN3CCC[C@@H]3CN3[C@@H](CC(C)C)CNC3=S)Cc3ccc(O)cc3)C2=S)cc1
Structure:
Search PDB for entries with ligand similarity: