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Target
Toll-like receptor 7
Ligand
BDBM450187
Substrate
n/a
Meas. Tech.
Inhibition of the Activation Assay
IC50
13.0±n/a nM
Citation
 Tojo, S; Isobe, Y; Ideue, E; Fujiwara, H; Urabe, D Substituted purine derivative US Patent  US10703755 Publication Date 7/7/2020 
Target
Name:
Toll-like receptor 7
Synonyms:
ORF Names:UNQ248/PRO285 | TLR7 | TLR7_HUMAN | Toll-like receptor 7 (TLR7)
Type:
Enzyme
Mol. Mass.:
120945.35
Organism:
Homo sapiens (Human)
Description:
Q9NYK1
Residue:
1049
Sequence:
MVFPMWTLKRQILILFNIILISKLLGARWFPKTLPCDVTLDVPKNHVIVDCTDKHLTEIPGGIPTNTTNLTLTINHIPDISPASFHRLDHLVEIDFRCNCVPIPLGSKNNMCIKRLQIKPRSFSGLTYLKSLYLDGNQLLEIPQGLPPSLQLLSLEANNIFSIRKENLTELANIEILYLGQNCYYRNPCYVSYSIEKDAFLNLTKLKVLSLKDNNVTAVPTVLPSTLTELYLYNNMIAKIQEDDFNNLNQLQILDLSGNCPRCYNAPFPCAPCKNNSPLQIPVNAFDALTELKVLRLHSNSLQHVPPRWFKNINKLQELDLSQNFLAKEIGDAKFLHFLPSLIQLDLSFNFELQVYRASMNLSQAFSSLKSLKILRIRGYVFKELKSFNLSPLHNLQNLEVLDLGTNFIKIANLSMFKQFKRLKVIDLSVNKISPSGDSSEVGFCSNARTSVESYEPQVLEQLHYFRYDKYARSCRFKNKEASFMSVNESCYKYGQTLDLSKNSIFFVKSSDFQHLSFLKCLNLSGNLISQTLNGSEFQPLAELRYLDFSNNRLDLLHSTAFEELHKLEVLDISSNSHYFQSEGITHMLNFTKNLKVLQKLMMNDNDISSSTSRTMESESLRTLEFRGNHLDVLWREGDNRYLQLFKNLLKLEELDISKNSLSFLPSGVFDGMPPNLKNLSLAKNGLKSFSWKKLQCLKNLETLDLSHNQLTTVPERLSNCSRSLKNLILKNNQIRSLTKYFLQDAFQLRYLDLSSNKIQMIQKTSFPENVLNNLKMLLLHHNRFLCTCDAVWFVWWVNHTEVTIPYLATDVTCVGPGAHKGQSVISLDLYTCELDLTNLILFSLSISVSLFLMVMMTASHLYFWDVWYIYHFCKAKIKGYQRLISPDCCYDAFIVYDTKDPAVTEWVLAELVAKLEDPREKHFNLCLEERDWLPGQPVLENLSQSIQLSKKTVFVMTDKYAKTENFKIAFYLSHQRLMDEKVDVIILIFLEKPFQKSKFLQLRKRLCGSSVLEWPTNPQAHPYFWQCLKNALATDNHVAYSQVFKETV
  
Inhibitor
Name:
BDBM450187
Synonyms:
US10703755, Example 386
Type:
Small organic molecule
Emp. Form.:
C26H27FN6O
Mol. Mass.:
458.5306
SMILES:
COc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3cccc(c3)C3CN4CCC3CC4)c2n1 |(-6.77,2.7,;-5.59,1.71,;-4.26,2.48,;-4.26,4.02,;-2.93,4.79,;-2.93,6.33,;-1.59,4.02,;-.13,4.49,;.78,3.25,;2.32,3.25,;3.09,1.91,;4.63,1.91,;5.4,3.25,;4.63,4.58,;5.4,5.91,;3.09,4.58,;-.13,2,;.27,.51,;1.76,.11,;2.85,1.2,;4.34,.8,;4.73,-.68,;3.64,-1.77,;2.16,-1.37,;4.04,-3.26,;2.79,-4.15,;2.94,-5.69,;4.34,-6.33,;5.59,-5.43,;5.44,-3.9,;4,-4.44,;4.31,-5.26,;-1.59,2.48,;-2.93,1.71,)|
Structure:
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