Reaction Details Report a problem with these data
Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM50236624
Substrate
n/a
Meas. Tech.
ChEBML_1661178
IC50
18±n/a nM
Citation
 Ouvry, G; Berton, Y; Bhurruth-Alcor, Y; Bonnary, L; Bouix-Peter, C; Bouquet, K; Bourotte, M; Chambon, S; Comino, C; Deprez, B; Duvert, D; Duvert, G; Hacini-Rachinel, F; Harris, CS; Luzy, AP; Mathieu, A; Millois, C; Pascau, J; Pinto, A; Polge, G; Reitz, A; Reversé, K; Rosignoli, C; Taquet, N; Hennequin, LF Identification of novel TACE inhibitors compatible with topical application. Bioorg Med Chem Lett 27:1848-1853 (2017) [PubMed]  Article 
Target
Name:
Disintegrin and metalloproteinase domain-containing protein 17
Synonyms:
ADA17_MOUSE | ADAM 17 | Adam17 | TNF-alpha convertase | TNF-alpha-converting enzyme | Tace
Type:
Enzyme Catalytic Domain
Mol. Mass.:
93046.10
Organism:
Mus musculus (Mouse)
Description:
Q9Z0F8
Residue:
827
Sequence:
MRRRLLILTTLVPFVLAPRPPEEAGSGSHPRLEKLDSLLSDYDILSLANIQQHSIRKRDLQSATHLETLLTFSALKRHFKLYLTSSTERFSQNLRVVVVDGKEESEYSVKWQNFFSGHVVGEPDSRVLAHIGDDDVTVRINTDGAEYNVEPLWRFVNDTKDKRMLVYKSEDIKDFSRLQSPKVCGYLNADSEELLPKGLIDREPSEEFVRRVKRRAEPNPLKNTCKLLVVADHRFYKYMGRGEESTTTNYLIELIDRVDDIYRNTSWDNAGFKGYGVQIEQIRILKSPQEVKPGERHFNMAKSFPNEEKDAWDVKMLLEQFSFDIAEEASKVCLAHLFTYQDFDMGTLGLAYVGSPRANSHGGVCPKAYYNPTVKKNIYLNSGLTSTKNYGKTILTKEADLVTTHELGHNFGAEHDPDGLAECAPNEDQGGKYVMYPIAVSGDHENNKMFSNCSKQSIYKTIESKAQECFQERSNKVCGNSRVDEGEECDPGIMYLNNDTCCNSDCTLKPGVQCSDRNSPCCKNCQFETAQKKCQEAINATCKGVSYCTGNSSECPPPGDAEDDTVCLDLGKCKAGKCIPFCKREQELESCACVDTDNSCKVCCRNLSGPCVPYVDAEQKNLFLRKGKPCTVGFCDMNGKCEKRVQDVIERFWDFIDQLSINTFGKFLADNIVGSVLVFSLIFWIPFSILVHCVDKKLDKQYESLSLFHHSNIEMLSSMDSASVRIIKPFPAPQTPGRLQALQPAAMMPPVPAAPKLDHQRMDTIQEDPSTDSHADDDGFEKDPFPNSSTAAKSFEDLTDHPVTRSEKAASFKLQRQSRVDSKETEC
  
Inhibitor
Name:
BDBM50236624
Synonyms:
CHEMBL4097420
Type:
Small organic molecule
Emp. Form.:
C25H27N3O5S
Mol. Mass.:
481.564
SMILES:
[H][C@]12CC[C@]([H])(C1)[C@@H]([C@@H]2NS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO |r|
Structure:
Search PDB for entries with ligand similarity: