| Reaction Details |
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 | Report a problem with these data |
| Target | Toll-like receptor 9 |
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| Ligand | BDBM50581968 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2152693 (CHEMBL5037240) |
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| IC50 | 240±n/a nM |
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| 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 Chem64:9279-9301 (2021) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Toll-like receptor 9 |
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| Name: | Toll-like receptor 9 |
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| Synonyms: | CD_antigen: CD289 | TLR9 | TLR9_HUMAN |
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| Type: | Enzyme |
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| Mol. Mass.: | 115889.91 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Q9NR96 |
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| Residue: | 1032 |
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| Sequence: | MGFCRSALHPLSLLVQAIMLAMTLALGTLPAFLPCELQPHGLVNCNWLFLKSVPHFSMAA
PRGNVTSLSLSSNRIHHLHDSDFAHLPSLRHLNLKWNCPPVGLSPMHFPCHMTIEPSTFL
AVPTLEELNLSYNNIMTVPALPKSLISLSLSHTNILMLDSASLAGLHALRFLFMDGNCYY
KNPCRQALEVAPGALLGLGNLTHLSLKYNNLTVVPRNLPSSLEYLLLSYNRIVKLAPEDL
ANLTALRVLDVGGNCRRCDHAPNPCMECPRHFPQLHPDTFSHLSRLEGLVLKDSSLSWLN
ASWFRGLGNLRVLDLSENFLYKCITKTKAFQGLTQLRKLNLSFNYQKRVSFAHLSLAPSF
GSLVALKELDMHGIFFRSLDETTLRPLARLPMLQTLRLQMNFINQAQLGIFRAFPGLRYV
DLSDNRISGASELTATMGEADGGEKVWLQPGDLAPAPVDTPSSEDFRPNCSTLNFTLDLS
RNNLVTVQPEMFAQLSHLQCLRLSHNCISQAVNGSQFLPLTGLQVLDLSHNKLDLYHEHS
FTELPRLEALDLSYNSQPFGMQGVGHNFSFVAHLRTLRHLSLAHNNIHSQVSQQLCSTSL
RALDFSGNALGHMWAEGDLYLHFFQGLSGLIWLDLSQNRLHTLLPQTLRNLPKSLQVLRL
RDNYLAFFKWWSLHFLPKLEVLDLAGNQLKALTNGSLPAGTRLRRLDVSCNSISFVAPGF
FSKAKELRELNLSANALKTVDHSWFGPLASALQILDVSANPLHCACGAAFMDFLLEVQAA
VPGLPSRVKCGSPGQLQGLSIFAQDLRLCLDEALSWDCFALSLLAVALGLGVPMLHHLCG
WDLWYCFHLCLAWLPWRGRQSGRDEDALPYDAFVVFDKTQSAVADWVYNELRGQLEECRG
RWALRLCLEERDWLPGKTLFENLWASVYGSRKTLFVLAHTDRVSGLLRASFLLAQQRLLE
DRKDVVVLVILSPDGRRSRYVRLRQRLCRQSVLLWPHQPSGQRSFWAQLGMALTRDNHHF
YNRNFCQGPTAE
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| BDBM50581968 |
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| n/a |
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| Name | BDBM50581968 |
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| Synonyms: | CHEMBL5087096 |
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| Type | Small organic molecule |
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| Emp. Form. | C29H42N8O |
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| Mol. Mass. | 518.6968 |
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| SMILES | COc1ccc(CNc2nc(N3CCN(CC3)C3CCCC3)c3ncn(CCCN4CCCC4)c3n2)cc1 |
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| Structure | 
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