Reaction Details Report a problem with these data
Target
Toll-like receptor 7
Ligand
BDBM427741
Substrate
n/a
Meas. Tech.
TLR7/8/9 Inhibition Reporter Assays
IC50
0.160±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  US11053244 Publication Date 7/6/2021 
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:
BDBM427741
Synonyms:
US10544143, Example 174 | US10730877, Example 199 | US11053244, Example 199
Type:
Small organic molecule
Emp. Form.:
C27H34N6O
Mol. Mass.:
458.5985
SMILES:
COc1cc(cn2ncnc12)-c1[nH]c2ccc(nc2c1C(C)C)C1CCC(CC1)N1CCCC1 |(9.39,.97,;7.85,.97,;7.08,-.36,;5.54,-.36,;4.77,-1.69,;5.54,-3.03,;7.08,-3.03,;8.11,-4.17,;9.51,-3.55,;9.35,-2.01,;7.85,-1.69,;3.23,-1.69,;2.32,-2.94,;.86,-2.46,;-.48,-3.23,;-1.81,-2.46,;-1.81,-.92,;-.48,-.15,;.86,-.92,;2.32,-.45,;2.72,1.04,;1.63,2.13,;4.21,1.44,;-3.14,-.15,;-4.48,-.92,;-5.81,-.15,;-5.81,1.39,;-4.48,2.16,;-3.14,1.39,;-7.14,2.16,;-7.14,3.7,;-8.61,4.17,;-9.51,2.93,;-8.61,1.68,)|
Structure:
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