Ki Summary

Reaction Details

Report a problem with these data

Target

Toll-like receptor 9

Ligand

BDBM50560349

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_2071951 (CHEMBL4727485)

IC50

1200±n/a nM

Citation

Alper, PB; Deane, J; Betschart, C; Buffet, D; Collignon Zipfel, G; Gordon, P; Hampton, J; Hawtin, S; Ibanez, M; Jiang, T; Junt, T; Knoepfel, T; Liu, B; Maginnis, J; McKeever, U; Michellys, PY; Mutnick, D; Nayak, B; Niwa, S; Richmond, W; Rush, JS; Syka, P; Zhang, Y; Zhu, X Discovery of potent, orally bioavailable in vivo efficacious antagonists of the TLR7/8 pathway. Bioorg Med Chem Lett30:0 (2020) [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_MOUSE | Tlr9 | Toll-like receptor 9

Type:

PROTEIN

Mol. Mass.:

116449.39

Organism:

Mus musculus

Description:

ChEMBL_101453

Residue:

1032

Sequence:

MVLRRRTLHPLSLLVQAAVLAETLALGTLPAFLPCELKPHGLVDCNWLFLKSVPRFSAAA
SCSNITRLSLISNRIHHLHNSDFVHLSNLRQLNLKWNCPPTGLSPLHFSCHMTIEPRTFL
AMRTLEELNLSYNGITTVPRLPSSLVNLSLSHTNILVLDANSLAGLYSLRVLFMDGNCYY
KNPCTGAVKVTPGALLGLSNLTHLSLKYNNLTKVPRQLPPSLEYLLVSYNLIVKLGPEDL
ANLTSLRVLDVGGNCRRCDHAPNPCIECGQKSLHLHPETFHHLSHLEGLVLKDSSLHTLN
SSWFQGLVNLSVLDLSENFLYESITHTNAFQNLTRLRKLNLSFNYRKKVSFARLHLASSF
KNLVSLQELNMNGIFFRLLNKYTLRWLADLPKLHTLHLQMNFINQAQLSIFGTFRALRFV
DLSDNRISGPSTLSEATPEEADDAEQEELLSADPHPAPLSTPASKNFMDRCKNFKFTMDL
SRNNLVTIKPEMFVNLSRLQCLSLSHNSIAQAVNGSQFLPLTNLQVLDLSHNKLDLYHWK
SFSELPQLQALDLSYNSQPFSMKGIGHNFSFVTHLSMLQSLSLAHNDIHTRVSSHLNSNS
VRFLDFSGNGMGRMWDEGGLYLHFFQGLSGLLKLDLSQNNLHILRPQNLDNLPKSLKLLS
LRDNYLSFFNWTSLSFLPNLEVLDLAGNQLKALTNGTLPNGTLLQKLDVSSNSIVSVVPA
FFALAVELKEVNLSHNILKTVDRSWFGPIVMNLTVLDVRSNPLHCACGAAFVDLLLEVQT
KVPGLANGVKCGSPGQLQGRSIFAQDLRLCLDEVLSWDCFGLSLLAVAVGMVVPILHHLC
GWDVWYCFHLCLAWLPLLARSRRSAQTLPYDAFVVFDKAQSAVADWVYNELRVRLEERRG
RRALRLCLEDRDWLPGQTLFENLWASIYGSRKTLFVLAHTDRVSGLLRTSFLLAQQRLLE
DRKDVVVLVILRPDAHRSRYVRLRQRLCRQSVLFWPQQPNGQGGFWAQLSTALTRDNRHF
YNQNFCRGPTAE

BDBM50560349

n/a

Name

BDBM50560349

Synonyms:

CHEMBL4782200

Type

Small organic molecule

Emp. Form.

C19H23FN6O

Mol. Mass.

370.4239

SMILES

Cn1nc(-c2ccc(OC[C@@H]3CC[C@H](N)CC3)c(F)c2)c2cnc(N)nc12 |r,wU:10.9,13.13,(62.57,-3.9,;62.1,-5.36,;63.01,-6.61,;62.11,-7.86,;62.6,-9.32,;61.57,-10.46,;62.05,-11.92,;63.56,-12.24,;64.05,-13.7,;65.56,-14.01,;66.04,-15.47,;65.02,-16.61,;65.5,-18.07,;67.01,-18.38,;67.49,-19.85,;68.03,-17.23,;67.55,-15.77,;64.59,-11.08,;66.1,-11.38,;64.1,-9.62,;60.64,-7.39,;59.3,-8.17,;57.97,-7.4,;57.97,-5.86,;56.64,-5.09,;59.3,-5.09,;60.64,-5.85,)|

Structure