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Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM50453850
Substrate
n/a
Meas. Tech.
ChEMBL_1751359 (CHEMBL4186119)
IC50
36±n/a nM
Citation
 Boiteau, JG; Ouvry, G; Arlabosse, JM; Astri, S; Beillard, A; Bhurruth-Alcor, Y; Bonnary, L; Bouix-Peter, C; Bouquet, K; Bourotte, M; Cardinaud, I; Comino, C; Deprez, B; Duvert, D; Féret, A; Hacini-Rachinel, F; Harris, CS; Luzy, AP; Mathieu, A; Millois, C; Orsini, N; Pascau, J; Pinto, A; Piwnica, D; Polge, G; Reitz, A; Reversé, K; Rodeville, N; Rossio, P; Spiesse, D; Tabet, S; Taquet, N; Tomas, L; Vial, E; Hennequin, LF Discovery and process development of a novel TACE inhibitor for the topical treatment of psoriasis. Bioorg Med Chem 26:945-956 (2018) [PubMed]  Article 
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:
BDBM50453850
Synonyms:
CHEMBL4210896
Type:
Small organic molecule
Emp. Form.:
C26H28N4O6S
Mol. Mass.:
524.589
SMILES:
CC(=O)N1CC2(C1)CC(C2)(NS(=O)(=O)c1ccc(OCc2cc(C)nc3ccccc23)cc1)C(=O)NO
Structure:
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