Reaction Details Report a problem with these data
Target
Toll-like receptor 9
Ligand
BDBM427762
Substrate
n/a
Meas. Tech.
TLR7/8/9 Inhibition Reporter Assays
IC50
1189±n/a nM
Citation
 Dyckman, AJ; Dodd, DS; Mussari, CP; Kumar, SR 4-azaindole compounds US Patent  US10544143 Publication Date 1/28/2020 
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:
BDBM427762
Synonyms:
US10544143, Example 195 | US10544143, 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 |(9.38,.97,;7.84,.97,;7.07,-.36,;5.53,-.36,;4.76,-1.69,;5.53,-3.03,;7.07,-3.03,;8.1,-4.17,;9.51,-3.55,;9.35,-2.01,;7.84,-1.69,;3.22,-1.69,;2.31,-2.94,;.85,-2.46,;-.48,-3.23,;-1.82,-2.46,;-1.82,-.92,;-.48,-.15,;.85,-.92,;2.31,-.45,;2.71,1.04,;1.62,2.13,;4.2,1.44,;-3.15,-.15,;-4.49,-.92,;-5.82,-.15,;-5.82,1.39,;-4.49,2.16,;-3.15,1.39,;-7.15,2.16,;-7.14,3.7,;-8.6,4.17,;-9.51,2.93,;-8.6,1.68,)|
Structure:
Search PDB for entries with ligand similarity: