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Target
Toll-like receptor 7
Ligand
BDBM450136
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:
BDBM450136
Synonyms:
US10703755, Example 322
Type:
Small organic molecule
Emp. Form.:
C27H26FN7O2
Mol. Mass.:
499.5394
SMILES:
COc1nc(C)c2nc(-c3cncc(c3)C#N)n(Cc3ccc(OC4CN5CCC4CC5)cc3F)c2n1 |(-8.92,.3,;-7.74,-.69,;-6.41,.08,;-6.41,1.62,;-5.07,2.39,;-5.07,3.93,;-3.74,1.62,;-2.27,2.1,;-1.37,.85,;.17,.85,;.94,-.48,;2.48,-.48,;3.25,.85,;2.55,2.25,;.94,2.19,;3.34,3.57,;4.12,4.9,;-2.27,-.39,;-1.88,-1.88,;-.39,-2.28,;.7,-1.19,;2.19,-1.59,;2.59,-3.08,;4.07,-3.47,;5.16,-2.39,;4.76,-.9,;5.85,.19,;7.34,-.21,;7.74,-1.69,;6.65,-2.78,;6.65,-1.24,;5.85,-1.35,;1.5,-4.16,;.01,-3.77,;-1.08,-4.85,;-3.74,.08,;-5.07,-.69,)|
Structure:
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