Reaction Details Report a problem with these data
Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM50279256
Substrate
n/a
Meas. Tech.
ChEMBL_545901 (CHEMBL1035217)
IC50
7800±n/a nM
Citation
 Park, K; Gopalsamy, A; Aplasca, A; Ellingboe, JW; Xu, W; Zhang, Y; Levin, JI Synthesis and activity of tryptophan sulfonamide derivatives as novel non-hydroxamate TNF-alpha converting enzyme (TACE) inhibitors. Bioorg Med Chem 17:3857-65 (2009) [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:
BDBM50279256
Synonyms:
CHEMBL527018 | D-2-(4-(but-2-ynyloxy)phenylsulfonamido)-3-(5-methyl-1H-indol-3-yl)propanoic acid | N-{[4-(but-2-yn-1-yloxy)phenyl]sulfonyl}-5-methyl-D-tryptophan
Type:
Small organic molecule
Emp. Form.:
C22H22N2O5S
Mol. Mass.:
426.485
SMILES:
CC#CCOc1ccc(cc1)S(=O)(=O)N[C@H](Cc1c[nH]c2ccc(C)cc12)C(O)=O |r|
Structure:
Search PDB for entries with ligand similarity: