Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM50332476
Substrate
n/a
Meas. Tech.
ChEMBL_697248 (CHEMBL1640792)
IC50
0.270000±n/a nM
Citation
 Yang, JSChun, KPark, JECho, MSeo, JSong, DYoon, HPark, CHJoe, BYChoi, JHKim, MHHan, G Structure based optimization of chromen-based TNF-a converting enzyme (TACE) inhibitors on S1' pocket and their quantitative structure-activity relationship (QSAR) study. Bioorg Med Chem 18:8618-29 (2010) [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:
BDBM50332476
Synonyms:
2-((6-Methyl-2-oxo-2H-chromen-3-yl)methyl)-5-(3-(2-(piperidin-1-yl)ethoxy)phenyl)-pentanoic acid hydroxyamide | CHEMBL1630106
Type:
Small organic molecule
Emp. Form.:
C29H36N2O5
Mol. Mass.:
492.6065
SMILES:
Cc1ccc2oc(=O)c(CC(CCCc3cccc(OCCN4CCCCC4)c3)C(=O)NO)cc2c1
Structure:
Search PDB for entries with ligand similarity: