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Target
Toll-like receptor 7
Ligand
BDBM450233
Substrate
n/a
Meas. Tech.
Inhibition of the Activation Assay
IC50
17.0±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:
BDBM450233
Synonyms:
US10703755, Example 443
Type:
Small organic molecule
Emp. Form.:
C26H26F2N6O
Mol. Mass.:
476.521
SMILES:
COc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3cc(ccc3F)C3CN4CCC3CC4)c2n1 |(-8.33,2.07,;-7.15,1.08,;-5.81,1.85,;-5.81,3.39,;-4.48,4.16,;-4.48,5.7,;-3.15,3.39,;-1.68,3.87,;-.78,2.62,;.76,2.62,;1.53,1.29,;3.07,1.29,;3.84,2.62,;3.07,3.96,;3.84,5.29,;1.53,3.96,;-1.68,1.38,;-.58,-2.73,;.91,-3.13,;1.99,-2.04,;3.48,-2.44,;3.88,-3.92,;2.79,-5.01,;1.3,-4.61,;.22,-5.7,;4.57,-1.35,;4.17,.14,;5.26,1.23,;6.75,.83,;7.15,-.66,;6.06,-1.75,;4.97,-.66,;6.3,.11,;-3.15,1.85,;-4.48,1.08,)|
Structure:
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