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Target
Disintegrin and metalloproteinase domain-containing protein 17
Ligand
BDBM114087
Substrate
n/a
Meas. Tech.
QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17
IC50
69459±n/a nM
Citation
 PubChem, PC QFRET-based biochemical high throughput dose response assay to identify exosite inhibitors of ADAM17 PubChem Bioassay (2014)[AID] 
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:
BDBM114087
Synonyms:
3-(5,6-Dichloro-2-{1-[4-(4-fluoro-phenyl)-thiazol-2-yl]-pyrrolidin-2-yl}-benzoimidazol-1-yl)-propan-1-ol | 3-[5,6-bis(chloranyl)-2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]benzimidazol-1-yl]propan-1-ol | 3-[5,6-dichloro-2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]pyrrolidin-2-yl]benzimidazol-1-yl]propan-1-ol | 3-[5,6-dichloro-2-[1-[4-(4-fluorophenyl)-2-thiazolyl]-2-pyrrolidinyl]-1-benzimidazolyl]-1-propanol | 3-[5,6-dichloro-2-[1-[4-(4-fluorophenyl)thiazol-2-yl]pyrrolidin-2-yl]benzimidazol-1-yl]propan-1-ol | MLS000911824 | SMR000478101 | cid_23724115
Type:
Small organic molecule
Emp. Form.:
C23H21Cl2FN4OS
Mol. Mass.:
491.408
SMILES:
OCCCn1c(nc2cc(Cl)c(Cl)cc12)C1CCCN1c1nc(cs1)-c1ccc(F)cc1
Structure:
Search PDB for entries with ligand similarity: