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Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM50104638
Substrate
n/a
Meas. Tech.
ChEMBL_1505518 (CHEMBL3595603)
IC50
10000±n/a nM
Citation
 Knapinska, AM; Dreymuller, D; Ludwig, A; Smith, L; Golubkov, V; Sohail, A; Fridman, R; Giulianotti, M; LaVoi, TM; Houghten, RA; Fields, GB; Minond, D SAR Studies of Exosite-Binding Substrate-Selective Inhibitors of A Disintegrin And Metalloprotease 17 (ADAM17) and Application as Selective in Vitro Probes. J Med Chem 58:5808-24 (2015) [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:
BDBM50104638
Synonyms:
CHEMBL3593356
Type:
Small organic molecule
Emp. Form.:
C43H61N5O6
Mol. Mass.:
743.9743
SMILES:
CCC[C@H]1CNC(=O)C(=O)N1C[C@@H]1CCCN1C[C@H](Cc1ccc(O)cc1)N1C[C@H](Cc2ccc(O)cc2)N(CC2CCC(CC2)C(C)(C)C)C(=O)C1=O |r,wU:12.12,29.32,wD:3.2,18.20,(-5.07,-1.38,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;1.33,-.77,;1.33,.77,;2.4,1.39,;,1.54,;,2.77,;-1.33,.77,;-2.67,1.54,;-2.67,3.08,;-1.43,3.96,;-1.91,5.43,;-3.45,5.43,;-3.92,3.96,;-5.38,3.48,;-6.53,4.5,;-7.99,4.01,;-9.15,5.04,;-8.83,6.54,;-9.98,7.57,;-11.45,7.09,;-12.37,7.91,;-11.76,5.58,;-10.61,4.55,;-6.22,6.01,;-4.76,6.49,;-4.45,8,;-2.99,8.49,;-2.68,10,;-3.83,11.02,;-3.52,12.53,;-2.06,13.01,;-1.82,14.22,;-.91,11.99,;-1.21,10.48,;-5.6,9.02,;-5.28,10.53,;-6.43,11.56,;-7.89,11.08,;-9.04,12.1,;-8.73,13.61,;-7.27,14.09,;-6.12,13.07,;-9.88,14.64,;-10.8,15.46,;-11.05,14.25,;-9.63,15.84,;-7.06,8.54,;-7.98,9.36,;-7.37,7.03,;-8.35,6.71,)|
Structure:
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