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Target
Toll-like receptor 7
Ligand
BDBM450046
Substrate
n/a
Meas. Tech.
Inhibition of the Activation Assay
IC50
10.00±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:
BDBM450046
Synonyms:
9-{[1-(1-Azabicyclo[2.2.2]oct-3-ylmethyl)-1H-pyrazol-4-yl]methyl}-2-ethoxy-8-(5-fluoropyridin-3-yl)-6-methyl-9H-purine | US10703755, Example 163
Type:
Small organic molecule
Emp. Form.:
C25H29FN8O
Mol. Mass.:
476.5492
SMILES:
CCOc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3cnn(CC4CN5CCC4CC5)c3)c2n1 |(-6.27,-3.01,;-6.79,-4.46,;-5.61,-5.45,;-4.28,-4.68,;-4.28,-3.14,;-2.95,-2.37,;-2.95,-.83,;-1.61,-3.14,;-.15,-2.66,;.76,-3.91,;2.3,-3.91,;3.07,-5.24,;4.61,-5.24,;5.38,-3.91,;4.61,-2.57,;5.38,-1.24,;3.07,-2.57,;-.15,-5.15,;.62,-6.49,;1.96,-7.26,;2.43,-8.72,;3.97,-8.72,;4.45,-7.26,;5.78,-6.49,;7.11,-7.26,;8.45,-6.49,;9.78,-7.26,;9.78,-8.8,;8.45,-9.57,;7.11,-8.8,;8.65,-8.8,;8.24,-7.26,;3.2,-6.35,;-1.61,-4.68,;-2.95,-5.45,)|
Structure:
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