Reaction Details Report a problem with these data
Target
Toll-like receptor 7
Ligand
BDBM427909
Substrate
n/a
Meas. Tech.
TLR7/8/9 Inhibition Reporter Assays
IC50
0.190±n/a nM
Citation
 Dyckman, AJ; Dodd, DS; Mussari, CP; Sherwood, TC; Whiteley, BK; Gilmore, JL; Kumar, SR; Pasunoori, L; Srinivas, PV; Duraisamy, SK; Hegde, S; Anumula, RK 4-Azaindole compounds US Patent  US10730877 Publication Date 8/4/2020 
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:
BDBM427909
Synonyms:
US10544143, Example 343 | US10544143, Example 344 | US10730877, Example 344 | US11053244, Example 344
Type:
Small organic molecule
Emp. Form.:
C28H33FN6O2
Mol. Mass.:
504.599
SMILES:
COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)N1CC2(COC2)C1 |(10.09,.69,;8.55,.69,;7.78,-.64,;6.24,-.64,;5.47,-1.97,;6.24,-3.31,;7.78,-3.31,;8.81,-4.45,;10.22,-3.83,;10.05,-2.29,;8.55,-1.97,;3.93,-1.97,;3.02,-3.22,;1.56,-2.74,;.22,-3.51,;-1.11,-2.74,;-2.44,-3.51,;-1.11,-1.2,;.22,-.43,;1.56,-1.2,;3.02,-.73,;3.42,.76,;2.33,1.85,;4.91,1.16,;-2.44,-.43,;-3.78,-1.2,;-5.11,-.43,;-5.11,1.11,;-3.78,1.88,;-2.44,1.11,;-6.44,1.88,;-6.84,3.36,;-8.33,2.96,;-8.73,4.45,;-10.22,4.05,;-9.82,2.57,;-7.93,1.48,)|
Structure:
Search PDB for entries with ligand similarity: