Reaction Details Report a problem with these data
Target
Toll-like receptor 9
Ligand
BDBM427913
Substrate
n/a
Meas. Tech.
TLR7/8/9 Inhibition Reporter Assays
IC50
6961±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 9
Synonyms:
CD_antigen: CD289 | TLR9 | TLR9_HUMAN
Type:
Enzyme
Mol. Mass.:
115889.91
Organism:
Homo sapiens (Human)
Description:
Q9NR96
Residue:
1032
Sequence:
MGFCRSALHPLSLLVQAIMLAMTLALGTLPAFLPCELQPHGLVNCNWLFLKSVPHFSMAAPRGNVTSLSLSSNRIHHLHDSDFAHLPSLRHLNLKWNCPPVGLSPMHFPCHMTIEPSTFLAVPTLEELNLSYNNIMTVPALPKSLISLSLSHTNILMLDSASLAGLHALRFLFMDGNCYYKNPCRQALEVAPGALLGLGNLTHLSLKYNNLTVVPRNLPSSLEYLLLSYNRIVKLAPEDLANLTALRVLDVGGNCRRCDHAPNPCMECPRHFPQLHPDTFSHLSRLEGLVLKDSSLSWLNASWFRGLGNLRVLDLSENFLYKCITKTKAFQGLTQLRKLNLSFNYQKRVSFAHLSLAPSFGSLVALKELDMHGIFFRSLDETTLRPLARLPMLQTLRLQMNFINQAQLGIFRAFPGLRYVDLSDNRISGASELTATMGEADGGEKVWLQPGDLAPAPVDTPSSEDFRPNCSTLNFTLDLSRNNLVTVQPEMFAQLSHLQCLRLSHNCISQAVNGSQFLPLTGLQVLDLSHNKLDLYHEHSFTELPRLEALDLSYNSQPFGMQGVGHNFSFVAHLRTLRHLSLAHNNIHSQVSQQLCSTSLRALDFSGNALGHMWAEGDLYLHFFQGLSGLIWLDLSQNRLHTLLPQTLRNLPKSLQVLRLRDNYLAFFKWWSLHFLPKLEVLDLAGNQLKALTNGSLPAGTRLRRLDVSCNSISFVAPGFFSKAKELRELNLSANALKTVDHSWFGPLASALQILDVSANPLHCACGAAFMDFLLEVQAAVPGLPSRVKCGSPGQLQGLSIFAQDLRLCLDEALSWDCFALSLLAVALGLGVPMLHHLCGWDLWYCFHLCLAWLPWRGRQSGRDEDALPYDAFVVFDKTQSAVADWVYNELRGQLEECRGRWALRLCLEERDWLPGKTLFENLWASVYGSRKTLFVLAHTDRVSGLLRASFLLAQQRLLEDRKDVVVLVILSPDGRRSRYVRLRQRLCRQSVLLWPHQPSGQRSFWAQLGMALTRDNHHFYNRNFCQGPTAE
  
Inhibitor
Name:
BDBM427913
Synonyms:
US10544143, Example 347 | US10544143, Example 348 | US10730877, Example 348 | US11053244, Example 348
Type:
Small organic molecule
Emp. Form.:
C24H29FN6O
Mol. Mass.:
436.5251
SMILES:
CNC1CCC(CC1)c1nc2c(C(C)C)c([nH]c2cc1F)-c1cc(OC)c2ncnn2c1 |(-9,2.39,;-7.66,3.16,;-6.33,2.39,;-6.33,.85,;-5,.08,;-3.66,.85,;-3.66,2.39,;-5,3.16,;-2.33,.08,;-.99,.85,;.34,.08,;1.8,.56,;2.2,2.05,;1.11,3.14,;3.69,2.45,;2.71,-.69,;1.8,-1.93,;.34,-1.46,;-.99,-2.23,;-2.33,-1.46,;-3.66,-2.23,;4.25,-.69,;5.02,.65,;6.56,.65,;7.33,1.98,;8.87,1.98,;7.33,-.69,;8.84,-1.01,;9,-2.54,;7.59,-3.16,;6.56,-2.02,;5.02,-2.02,)|
Structure:
Search PDB for entries with ligand similarity: