Reaction Details Report a problem with these data
Target
Toll-like receptor 7
Ligand
BDBM450195
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:
BDBM450195
Synonyms:
US10703755, Example 395
Type:
Small organic molecule
Emp. Form.:
C28H28FN7O
Mol. Mass.:
497.5666
SMILES:
CCOc1nc(C)c2nc(-c3cncc(F)c3)n(Cc3ccc([C@H]4CN5CCC4CC5)c(c3)C#N)c2n1 |r,wD:23.23,(-7.56,-13.3,;-6.22,-12.53,;-4.89,-13.3,;-3.56,-12.53,;-3.56,-10.99,;-2.22,-10.22,;-2.22,-8.68,;-.89,-10.99,;.57,-10.52,;1.48,-11.76,;3.02,-11.76,;3.79,-13.1,;5.33,-13.1,;6.1,-11.76,;5.33,-10.43,;6.1,-9.09,;3.79,-10.43,;.57,-13.01,;.97,-14.5,;2.46,-14.89,;3.55,-13.8,;5.04,-14.2,;5.44,-15.69,;6.92,-16.09,;7.32,-17.58,;8.81,-17.98,;9.9,-16.89,;9.5,-15.4,;8.01,-15,;8.01,-16.54,;8.81,-16.44,;4.36,-16.83,;2.86,-16.38,;4.76,-18.32,;5.16,-19.81,;-.89,-12.53,;-2.22,-13.3,)|
Structure:
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