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Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM114049
Substrate
n/a
Meas. Tech.
QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17
IC50
69487±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:
BDBM114049
Synonyms:
(Z)-2,3-bis(2-thienyl)acrylic acid [2-[3-(dimethylsulfamoyl)-4-methyl-anilino]-2-keto-ethyl] ester | (Z)-2,3-dithiophen-2-yl-2-propenoic acid [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] ester | MLS000409385 | SMR000247621 | [2-[3-(dimethylsulfamoyl)-4-methylanilino]-2-oxoethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate | [2-[[3-(dimethylsulfamoyl)-4-methyl-phenyl]amino]-2-oxidanylidene-ethyl] (Z)-2,3-dithiophen-2-ylprop-2-enoate | cid_6532763
Type:
Small organic molecule
Emp. Form.:
C22H22N2O5S3
Mol. Mass.:
490.615
SMILES:
CN(C)S(=O)(=O)c1cc(NC(=O)COC(=O)C(=C\c2cccs2)\c2cccs2)ccc1C
Structure:
Search PDB for entries with ligand similarity: