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Target
Toll-like receptor 9
Ligand
BDBM50581965
Substrate
n/a
Meas. Tech.
ChEMBL_2152693 (CHEMBL5037240)
IC50
7.0±n/a nM
Citation
 Kundu, B; Raychaudhuri, D; Mukherjee, A; Sinha, BP; Sarkar, D; Bandopadhyay, P; Pal, S; Das, N; Dey, D; Ramarao, K; Nagireddy, K; Ganguly, D; Talukdar, A Systematic Optimization of Potent and Orally Bioavailable Purine Scaffold as a Dual Inhibitor of Toll-Like Receptors 7 and 9. J Med Chem 64:9279-9301 (2021) [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:
BDBM50581965
Synonyms:
CHEMBL5094930
Type:
Small organic molecule
Emp. Form.:
C31H47N9
Mol. Mass.:
545.7652
SMILES:
CN(C)Cc1ccc(CNc2nc(N3CCN(CC3)C3CCCC3)c3ncn(CCCN4CCCC4)c3n2)cc1
Structure:
Search PDB for entries with ligand similarity: