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Target
Toll-like receptor 7
Ligand
BDBM450201
Substrate
n/a
Meas. Tech.
Inhibition of the Activation Assay
IC50
6.00±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:
BDBM450201
Synonyms:
US10703755, Example 401
Type:
Small organic molecule
Emp. Form.:
C27H26FN7O
Mol. Mass.:
483.54
SMILES:
COc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3ccc([C@H]4CN5CCC4CC5)c(c3)C#N)c2n1 |r,wD:22.22,(-6.37,-12.53,;-5.04,-13.3,;-3.71,-12.53,;-3.71,-10.99,;-2.37,-10.22,;-2.37,-8.68,;-1.04,-10.99,;.43,-10.52,;1.33,-11.76,;2.87,-11.76,;3.64,-13.1,;5.18,-13.1,;5.95,-11.76,;5.18,-10.43,;5.95,-9.09,;3.64,-10.43,;.43,-13.01,;.82,-14.5,;2.31,-14.89,;3.4,-13.8,;4.89,-14.2,;5.29,-15.69,;6.77,-16.09,;7.17,-17.58,;8.66,-17.98,;9.75,-16.89,;9.35,-15.4,;7.86,-15,;7.86,-16.54,;8.66,-16.44,;4.21,-16.83,;2.71,-16.38,;4.61,-18.32,;5.01,-19.81,;-1.04,-12.53,;-2.37,-13.3,)|
Structure:
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