Reaction Details Report a problem with these data
Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM114144
Substrate
n/a
Meas. Tech.
QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17
IC50
69484±n/a nM
Citation
 PubChem, PC QFRET-based biochemical high throughput dose response assay to identify exosite 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:
BDBM114144
Synonyms:
5-(1-besyl-2-piperidyl)-N-(3-cyanophenyl)isoxazole-3-carboxamide | 5-[1-(benzenesulfonyl)-2-piperidinyl]-N-(3-cyanophenyl)-3-isoxazolecarboxamide | 5-[1-(benzenesulfonyl)piperidin-2-yl]-N-(3-cyanophenyl)-1,2-oxazole-3-carboxamide | MLS003119759 | N-(3-cyanophenyl)-5-[1-(phenylsulfonyl)piperidin-2-yl]-1,2-oxazole-3-carboxamide | SMR001275816 | cid_49778479
Type:
Small organic molecule
Emp. Form.:
C22H20N4O4S
Mol. Mass.:
436.484
SMILES:
O=C(Nc1cccc(c1)C#N)c1cc(on1)C1CCCCN1S(=O)(=O)c1ccccc1
Structure:
Search PDB for entries with ligand similarity: