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Target
Toll-like receptor 9
Ligand
BDBM50543465
Substrate
n/a
Meas. Tech.
ChEMBL_1989195 (CHEMBL4622742)
IC50
700±n/a nM
Citation
 Mussari, CP; Dodd, DS; Sreekantha, RK; Pasunoori, L; Wan, H; Posy, SL; Critton, D; Ruepp, S; Subramanian, M; Watson, A; Davies, P; Schieven, GL; Salter-Cid, LM; Srivastava, R; Tagore, DM; Dudhgaonkar, S; Poss, MA; Carter, PH; Dyckman, AJ Discovery of Potent and Orally Bioavailable Small Molecule Antagonists of Toll-like Receptors 7/8/9 (TLR7/8/9). ACS Med Chem Lett 11:1751-1758 (2020) [PubMed]  Article 
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:
BDBM50543465
Synonyms:
CHEMBL4636498
Type:
Small organic molecule
Emp. Form.:
C27H37N3O2
Mol. Mass.:
435.6016
SMILES:
CNCCN1CCC(CC1)c1ccc2[nH]c(c(C(C)C)c2c1)-c1ccc(OC)c(OC)c1
Structure:
Search PDB for entries with ligand similarity: