Reaction Details Report a problem with these data
Target
Toll-like receptor 7
Ligand
BDBM427907
Substrate
n/a
Meas. Tech.
TLR7/8/9 Inhibition Reporter Assays
IC50
0.120±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:
BDBM427907
Synonyms:
US10544143, Example 341 | US10544143, Example 342 | US10730877, Example 342 | US11053244, Example 342
Type:
Small organic molecule
Emp. Form.:
C28H35FN6O2
Mol. Mass.:
506.6149
SMILES:
COc1cc(cn2ncnc12)-c1[nH]c2cc(F)c(nc2c1C(C)C)C1CCC(CC1)NCC1(C)COC1 |(9.81,1.98,;8.27,1.98,;7.5,.65,;5.96,.65,;5.19,-.69,;5.96,-2.02,;7.5,-2.02,;8.53,-3.16,;9.94,-2.54,;9.78,-1.01,;8.27,-.69,;3.65,-.69,;2.75,-1.93,;1.28,-1.46,;-.05,-2.23,;-1.39,-1.46,;-2.72,-2.23,;-1.39,.08,;-.05,.85,;1.28,.08,;2.75,.56,;3.15,2.05,;2.06,3.14,;4.63,2.45,;-2.72,.85,;-4.05,.08,;-5.39,.85,;-5.39,2.39,;-4.05,3.16,;-2.72,2.39,;-6.72,3.16,;-8.05,2.39,;-8.05,.85,;-6.72,.08,;-9.54,1.25,;-9.94,-.23,;-8.45,-.63,)|
Structure:
Search PDB for entries with ligand similarity: