Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM23507
Substrate
pro-TNF-alpha peptide
Meas. Tech.
TACE Inhibition Assay
pH
7.4±n/a
Temperature
295.15±n/a K
IC50
6.4±0.4 nM
Citation
 Huang, AJoseph-McCarthy, DLovering, FSun, LWang, WXu, WZhu, YCui, JZhang, YLevin, JI Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket. Bioorg Med Chem 15:6170-81 (2007) [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:
BDBM23507
Synonyms:
4-({[4-(but-2-yn-1-ylamino)benzene]sulfonyl}methyl)-N-hydroxy-1-(pyridin-4-ylmethyl)piperidine-4-carboxamide | beta-sulfonyl hydroxamate analogue, 18
Type:
Small organic molecule
Emp. Form.:
C23H28N4O4S
Mol. Mass.:
456.558
SMILES:
CC#CCNc1ccc(cc1)S(=O)(=O)CC1(CCN(Cc2ccncc2)CC1)C(=O)NO
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
pro-TNF-alpha peptide
Synonyms:
n/a
Type:
Fluorogenic peptide
Mol. Mass.:
1429.56
Organism:
n/a
Description:
A proprietary synthetic peptide of pro-TNF-alpha containing the minimal TACE cleavage sequence.
Residue:
14
Sequence:
ALAQAVRSSSRDPA