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Target
Toll-like receptor 7
Ligand
BDBM450122
Substrate
n/a
Meas. Tech.
Inhibition of the Activation Assay
IC50
5.00±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:
BDBM450122
Synonyms:
US10703755, Example 305
Type:
Small organic molecule
Emp. Form.:
C27H29FN6O
Mol. Mass.:
472.5572
SMILES:
COc1nc(C)c2nc(-c3cncc(C)c3)n(Cc3ccc(cc3F)C3CN4CCC3CC4)c2n1 |(-8.57,1.02,;-7.39,.03,;-6.06,.8,;-6.06,2.34,;-4.73,3.11,;-4.73,4.65,;-3.39,2.34,;-1.93,2.81,;-1.02,1.57,;.52,1.57,;1.29,.23,;2.83,.23,;3.6,1.57,;2.84,3,;3.59,4.34,;1.29,2.9,;-1.93,.32,;-1.53,-1.17,;-.04,-1.57,;1.05,-.48,;2.53,-.87,;2.93,-2.36,;1.84,-3.45,;.36,-3.05,;-.73,-4.14,;4.42,-2.76,;4.82,-4.25,;6.31,-4.65,;7.39,-3.56,;7,-2.07,;5.51,-1.67,;5.51,-3.21,;6.31,-3.11,;-3.39,.8,;-4.73,.03,)|
Structure:
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