| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Toll-like receptor 9 |
|---|
| Ligand | BDBM50581971 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2152693 (CHEMBL5037240) |
|---|
| IC50 | 140±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 Chem64:9279-9301 (2021) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Toll-like receptor 9 |
|---|
| 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: | MGFCRSALHPLSLLVQAIMLAMTLALGTLPAFLPCELQPHGLVNCNWLFLKSVPHFSMAA
PRGNVTSLSLSSNRIHHLHDSDFAHLPSLRHLNLKWNCPPVGLSPMHFPCHMTIEPSTFL
AVPTLEELNLSYNNIMTVPALPKSLISLSLSHTNILMLDSASLAGLHALRFLFMDGNCYY
KNPCRQALEVAPGALLGLGNLTHLSLKYNNLTVVPRNLPSSLEYLLLSYNRIVKLAPEDL
ANLTALRVLDVGGNCRRCDHAPNPCMECPRHFPQLHPDTFSHLSRLEGLVLKDSSLSWLN
ASWFRGLGNLRVLDLSENFLYKCITKTKAFQGLTQLRKLNLSFNYQKRVSFAHLSLAPSF
GSLVALKELDMHGIFFRSLDETTLRPLARLPMLQTLRLQMNFINQAQLGIFRAFPGLRYV
DLSDNRISGASELTATMGEADGGEKVWLQPGDLAPAPVDTPSSEDFRPNCSTLNFTLDLS
RNNLVTVQPEMFAQLSHLQCLRLSHNCISQAVNGSQFLPLTGLQVLDLSHNKLDLYHEHS
FTELPRLEALDLSYNSQPFGMQGVGHNFSFVAHLRTLRHLSLAHNNIHSQVSQQLCSTSL
RALDFSGNALGHMWAEGDLYLHFFQGLSGLIWLDLSQNRLHTLLPQTLRNLPKSLQVLRL
RDNYLAFFKWWSLHFLPKLEVLDLAGNQLKALTNGSLPAGTRLRRLDVSCNSISFVAPGF
FSKAKELRELNLSANALKTVDHSWFGPLASALQILDVSANPLHCACGAAFMDFLLEVQAA
VPGLPSRVKCGSPGQLQGLSIFAQDLRLCLDEALSWDCFALSLLAVALGLGVPMLHHLCG
WDLWYCFHLCLAWLPWRGRQSGRDEDALPYDAFVVFDKTQSAVADWVYNELRGQLEECRG
RWALRLCLEERDWLPGKTLFENLWASVYGSRKTLFVLAHTDRVSGLLRASFLLAQQRLLE
DRKDVVVLVILSPDGRRSRYVRLRQRLCRQSVLLWPHQPSGQRSFWAQLGMALTRDNHHF
YNRNFCQGPTAE
|
|
|
|---|
| BDBM50581971 |
|---|
| n/a |
|---|
| Name | BDBM50581971 |
|---|
| Synonyms: | CHEMBL5087425 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C27H41N9 |
|---|
| Mol. Mass. | 491.6747 |
|---|
| SMILES | CCN1CCN(CCCn2cnc3c(nc(NCc4ccccc4)nc23)N2CCN(CC)CC2)CC1 |
|---|
| Structure | 
|
|---|
Search and Browse
