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Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM114060
Substrate
n/a
Meas. Tech.
QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17
IC50
69488±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:
BDBM114060
Synonyms:
2-[3-(2-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)ethanamide | 2-[3-(2-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(3-morpholin-4-ylsulfonylphenyl)acetamide | 2-[[3-(2-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(3-morpholinosulfonylphenyl)acetamide | 2-[[3-(2-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-[3-(4-morpholinylsulfonyl)phenyl]acetamide | MLS000393811 | SMR000247878 | cid_3669223
Type:
Small organic molecule
Emp. Form.:
C26H23ClN4O5S2
Mol. Mass.:
571.068
SMILES:
Clc1ccccc1-n1c(SCC(=O)Nc2cccc(c2)S(=O)(=O)N2CCOCC2)nc2ccccc2c1=O |(12.42,-1.54,;12.42,-3.08,;11.08,-3.85,;11.08,-5.39,;12.42,-6.16,;13.75,-5.39,;13.75,-3.85,;15.08,-3.08,;15.08,-1.54,;13.75,-.77,;13.75,.77,;12.42,1.54,;11.08,.77,;12.42,3.08,;11.08,3.85,;11.08,5.39,;9.75,6.16,;8.41,5.39,;8.41,3.85,;9.75,3.08,;7.08,3.08,;6.31,4.41,;7.85,1.75,;5.75,2.31,;5.75,.77,;4.41,,;3.08,.77,;3.08,2.31,;4.41,3.08,;16.42,-.77,;17.75,-1.54,;19.13,-.72,;20.52,-1.51,;20.52,-3.11,;19.13,-3.9,;17.75,-3.08,;16.42,-3.85,;16.42,-5.39,)|
Structure:
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