Reaction Details Report a problem with these data
Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM50146472
Substrate
n/a
Meas. Tech.
ChEBML_212749
IC50
6±n/a nM
Citation
 Kamei, N; Tanaka, T; Kawai, K; Miyawaki, K; Okuyama, A; Murakami, Y; Arakawa, Y; Haino, M; Harada, T; Shimano, M Reverse hydroxamate-based selective TACE inhibitors. Bioorg Med Chem Lett 14:2897-900 (2004) [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-+- converting enzyme (TACE)
Type:
Enzyme
Mol. Mass.:
93007.89
Organism:
Human
Description:
Residue:
824
Sequence:
MRQSLLFLTSVVPFVLAPRPPDDPGFGPHQRLEKLDSLLSDYDILSLSNIQQHSVRKRDLQTSTHVETLLTFSALKRHFKLYLTSSTERFSQNFKVVVVDGKNESEYTVKWQDFFTGHVVGEPDSRVLAHIRDDDVIIRINTDGAEYNIEPLWRFVNDTKDKRMLVYKSEDIKNVSRLQSPKVCGYLKVDNEELLPKGLVDREPPEELVHRVKRRADPDPMKNTCKLLVVADHRFYRYMGRGEESTTTNYLIELIDRVDDIYRNTSWDNAGFKGYGIQIEQIRILKSPQEVKPGEKHYNMAKSYPNEEKDAWDVKMLLEQFSFDIAEEASKVCLAHLFTYQDFDMGTLGLAYVGSPRANSHGGVCPKAYYSPVGKKNIYLNSGLTSTKNYGKTILTKEADLVTTHELGHNFGAEHDPDGLAECAPNEDQGGKYVMYPIAVSGDHENNKMFSNCSKQSIYKTIESKAQECFQERSNKVCGNSRVDEGEECDPGIMYLNNDTCCNSDCTLKEGVQCSDRNSPCCKNCQFETAQKKCQEAINATCKGVSYCTGNSSECPPPGNAEDDTVCLDLGKCKDGKCIPFCEREQQLESCACNETDNSCKVCCRDLSGRCVPYVDAEQKNLFLRKGKPCTVGFCDMNGKCEKRVQDVIERFWDFIDQLSINTFGKFLADNIVGSVLVFSLIFWIPFSILVHCVDKKLDKQYESLSLFHPSNVEMLSSMDSASVRIIKPFPAPQTPGRLQPAPVIPSAPAAPKLDHQRMDTIQEDPSTDSHMDEDGFEKDPFPNSSTAAKSFEDLTDHPVTRSEKAASFKLQRQNRVDSKETEC
  
Inhibitor
Name:
BDBM50146472
Synonyms:
CHEMBL318252 | N-Hydroxy-N-{1-(1-isobutyl-piperidin-4-ylidenemethyl)-2-[4-(2-methyl-quinolin-4-ylmethoxy)-benzenesulfonyl]-ethyl}-formamide | N-hydroxy-N-(1-(1-isobutylpiperidin-4-ylidene)-3-(4-((2-methylquinolin-4-yl)methoxy)phenylsulfonyl)propan-2-yl)formamide
Type:
Small organic molecule
Emp. Form.:
C30H37N3O5S
Mol. Mass.:
551.697
SMILES:
[#6]-[#6](-[#6])-[#6]-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/[#6](-[#6]S(=O)(=O)c1ccc(-[#8]-[#6]-c2cc(-[#6])nc3ccccc23)cc1)-[#7](-[#8])-[#6]=O
Structure:
Search PDB for entries with ligand similarity: