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Target
Toll-like receptor 7
Ligand
BDBM450048
Substrate
n/a
Meas. Tech.
Inhibition of the Activation Assay
IC50
16.0±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:
BDBM450048
Synonyms:
9-[4-(1-Azabicyclo[2.2.2]oct-3-yl)benzyl]-8-(5-fluoropyridin-3-yl)-2-methoxy-6-methyl-9H-purine | US10703755, Example 165
Type:
Small organic molecule
Emp. Form.:
C26H27FN6O
Mol. Mass.:
458.5306
SMILES:
COc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3ccc(cc3)C3CN4CCC3CC4)c2n1 |(-6.59,-6.21,;-5.41,-7.2,;-4.08,-6.43,;-4.08,-4.89,;-2.74,-4.12,;-2.74,-2.58,;-1.41,-4.89,;.05,-4.41,;.96,-5.66,;2.5,-5.66,;3.27,-6.99,;4.81,-6.99,;5.58,-5.66,;4.81,-4.33,;5.58,-2.99,;3.27,-4.33,;.05,-6.91,;.82,-8.24,;2.31,-8.64,;3.4,-7.55,;4.89,-7.95,;5.29,-9.44,;4.2,-10.52,;2.71,-10.13,;6.77,-9.83,;7.17,-11.32,;8.66,-11.72,;9.75,-10.63,;9.35,-9.14,;7.86,-8.74,;7.86,-10.28,;8.66,-10.18,;-1.41,-6.43,;-2.74,-7.2,)|
Structure:
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