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Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM113922
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
69493±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:
BDBM113922
Synonyms:
(2S)-2-[[(4-methoxyphenyl)methyl-[(2S)-4-methyl-1-oxidanyl-pentan-2-yl]sulfamoyl]-(phenylmethyl)amino]-4-methyl-pentan-1-ol | (2S)-2-[[[(2S)-1-hydroxy-4-methylpentan-2-yl]-[(4-methoxyphenyl)methyl]sulfamoyl]-(phenylmethyl)amino]-4-methyl-1-pentanol | (2S)-2-[benzyl-[[(1S)-3-methyl-1-methylol-butyl]-p-anisyl-sulfamoyl]amino]-4-methyl-pentan-1-ol | (2S)-2-[benzyl-[[(2S)-1-hydroxy-4-methylpentan-2-yl]-[(4-methoxyphenyl)methyl]sulfamoyl]amino]-4-methylpentan-1-ol | MLS002240575 | SMR001308243 | cid_42628464
Type:
Small organic molecule
Emp. Form.:
C27H42N2O5S
Mol. Mass.:
506.698
SMILES:
COc1ccc(CN([C@H](CO)CC(C)C)S(=O)(=O)N(Cc2ccccc2)[C@H](CO)CC(C)C)cc1
Structure:
Search PDB for entries with ligand similarity: