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Target
Toll-like receptor 7
Ligand
BDBM450192
Substrate
n/a
Meas. Tech.
Inhibition of the Activation Assay
IC50
13.0±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:
BDBM450192
Synonyms:
9-{4-[(3R)-1-Azabicyclo[2.2.2]oct-3-yl]-2-fluorobenzyl}-8-(5-fluoropyridin-3-yl)-2-methoxy-6-methyl-9H-purine | US10703755, Example 392 | US10703755, Example 402
Type:
Small organic molecule
Emp. Form.:
C26H26F2N6O
Mol. Mass.:
476.521
SMILES:
COc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3ccc(cc3F)[C@@H]3CN4CCC3CC4)c2n1 |r,wU:25.26,(-6.37,-13.42,;-5.04,-14.19,;-3.71,-13.42,;-3.71,-11.88,;-2.37,-11.11,;-2.37,-9.57,;-1.04,-11.88,;.43,-11.41,;1.33,-12.65,;2.87,-12.65,;3.64,-13.98,;5.18,-13.98,;5.95,-12.65,;5.18,-11.32,;5.95,-9.98,;3.64,-11.32,;.43,-13.9,;.82,-15.38,;2.31,-15.78,;3.4,-14.69,;4.89,-15.09,;5.29,-16.58,;4.2,-17.67,;2.71,-17.27,;1.62,-18.36,;6.77,-16.98,;7.17,-18.47,;8.66,-18.87,;9.75,-17.78,;9.35,-16.29,;7.86,-15.89,;7.86,-17.43,;8.66,-17.33,;-1.04,-13.42,;-2.37,-14.19,)|
Structure:
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