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Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM50341787
Substrate
n/a
Meas. Tech.
ChEMBL_743595 (CHEMBL1768095)
IC50
>10000±n/a nM
Citation
 Shiozaki, M; Maeda, K; Miura, T; Kotoku, M; Yamasaki, T; Matsuda, I; Aoki, K; Yasue, K; Imai, H; Ubukata, M; Suma, A; Yokota, M; Hotta, T; Tanaka, M; Hase, Y; Haas, J; Fryer, AM; Laird, ER; Littmann, NM; Andrews, SW; Josey, JA; Mimura, T; Shinozaki, Y; Yoshiuchi, H; Inaba, T Discovery of (1S,2R,3R)-2,3-dimethyl-2-phenyl-1-sulfamidocyclopropanecarboxylates: novel and highly selective aggrecanase inhibitors. J Med Chem 54:2839-63 (2011) [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:
BDBM50341787
Synonyms:
(1S,2R,3R)-1-[(S)-4-(4-Chlorophenyl)-3-methylpiperazine-1-sulfonylamino]-2-methyl-3-phenylcyclopropanecarboxylic Acid | CHEMBL1766909
Type:
Small organic molecule
Emp. Form.:
C22H26ClN3O4S
Mol. Mass.:
463.978
SMILES:
C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCN([C@@H](C)C1)c1ccc(Cl)cc1)C(O)=O |r|
Structure:
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