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Target
Toll-like receptor 7
Ligand
BDBM450151
Substrate
n/a
Meas. Tech.
Inhibition of the Activation Assay
IC50
12.0±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:
BDBM450151
Synonyms:
US10703755, Example 344
Type:
Small organic molecule
Emp. Form.:
C28H27FN6O
Mol. Mass.:
482.552
SMILES:
COc1nc(C)c2nc(-c3cccc(c3)C#N)n(Cc3ccc(cc3F)C3CN4CCC3CC4)c2n1 |(-8.57,.56,;-7.39,-.43,;-6.06,.34,;-6.06,1.88,;-4.73,2.65,;-4.73,4.19,;-3.39,1.88,;-1.93,2.35,;-1.02,1.11,;.52,1.11,;1.29,-.23,;2.83,-.23,;3.6,1.11,;2.84,2.54,;1.29,2.44,;3.59,3.88,;4.34,5.23,;-1.93,-.14,;-1.53,-1.63,;-.04,-2.03,;1.05,-.94,;2.53,-1.34,;2.93,-2.82,;1.84,-3.91,;.36,-3.51,;-.73,-4.6,;4.42,-3.22,;4.82,-4.71,;6.31,-5.11,;7.39,-4.02,;7,-2.53,;5.51,-2.13,;5.51,-3.67,;6.31,-3.57,;-3.39,.34,;-4.73,-.43,)|
Structure:
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