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Target
Toll-like receptor 7
Ligand
BDBM450208
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:
BDBM450208
Synonyms:
US10703755, Example 412
Type:
Small organic molecule
Emp. Form.:
C26H26F2N6O2
Mol. Mass.:
492.5204
SMILES:
COc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3ccc(O[C@@H]4CN5CCC4CC5)cc3F)c2n1 |r,wD:23.23,(-8.92,.76,;-7.74,-.23,;-6.41,.54,;-6.41,2.08,;-5.08,2.85,;-5.08,4.39,;-3.74,2.08,;-2.28,2.56,;-1.37,1.31,;.17,1.31,;.94,-.02,;2.48,-.02,;3.25,1.31,;2.48,2.65,;3.25,3.98,;.94,2.65,;-2.28,.07,;-1.88,-1.42,;-.39,-1.82,;.7,-.73,;2.18,-1.13,;2.58,-2.62,;4.07,-3.01,;5.16,-1.92,;4.78,-.43,;5.88,.64,;7.36,.23,;7.74,-1.26,;6.64,-2.34,;6.66,-.8,;5.79,-.79,;1.49,-3.7,;.01,-3.31,;-1.08,-4.39,;-3.74,.54,;-5.08,-.23,)|
Structure:
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