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Target
Toll-like receptor 7
Ligand
BDBM450059
Substrate
n/a
Meas. Tech.
Inhibition of the Activation Assay
IC50
11.0±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:
BDBM450059
Synonyms:
US10703755, Example 176
Type:
Small organic molecule
Emp. Form.:
C27H29FN6O
Mol. Mass.:
472.5572
SMILES:
CCOc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3ccc(cc3)[C@H]3CN4CCC3CC4)c2n1 |r,wD:25.26,(-7.56,-14.19,;-6.22,-13.42,;-4.89,-14.19,;-3.56,-13.42,;-3.56,-11.88,;-2.22,-11.11,;-2.22,-9.57,;-.89,-11.88,;.57,-11.41,;1.48,-12.65,;3.02,-12.65,;3.79,-13.98,;5.33,-13.98,;6.1,-12.65,;5.33,-11.32,;6.1,-9.98,;3.79,-11.32,;.57,-13.9,;.97,-15.38,;2.46,-15.78,;2.86,-17.27,;4.35,-17.67,;5.44,-16.58,;5.04,-15.09,;3.55,-14.69,;6.92,-16.98,;7.32,-18.47,;8.81,-18.87,;9.9,-17.78,;9.5,-16.29,;8.01,-15.89,;8.01,-17.43,;8.81,-17.33,;-.89,-13.42,;-2.22,-14.19,)|
Structure:
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