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Target
Toll-like receptor 8
Ligand
BDBM50514798
Substrate
n/a
Meas. Tech.
ChEMBL_1858564 (CHEMBL4359293)
IC50
9000±n/a nM
Citation
 Jiang, S; Tanji, H; Yin, K; Zhang, S; Sakaniwa, K; Huang, J; Yang, Y; Li, J; Ohto, U; Shimizu, T; Yin, H Rationally Designed Small-Molecule Inhibitors Targeting an Unconventional Pocket on the TLR8 Protein-Protein Interface. J Med Chem 63:4117-4132 (2020) [PubMed]  Article
Target
Name:
Toll-like receptor 8
Synonyms:
CD_antigen: CD288 | TLR8 | TLR8_HUMAN | TRL8
Type:
Enzyme
Mol. Mass.:
119828.77
Organism:
Homo sapiens (Human)
Description:
Q9NR97
Residue:
1041
Sequence:
MENMFLQSSMLTCIFLLISGSCELCAEENFSRSYPCDEKKQNDSVIAECSNRRLQEVPQTVGKYVTELDLSDNFITHITNESFQGLQNLTKINLNHNPNVQHQNGNPGIQSNGLNITDGAFLNLKNLRELLLEDNQLPQIPSGLPESLTELSLIQNNIYNITKEGISRLINLKNLYLAWNCYFNKVCEKTNIEDGVFETLTNLELLSLSFNSLSHVPPKLPSSLRKLFLSNTQIKYISEEDFKGLINLTLLDLSGNCPRCFNAPFPCVPCDGGASINIDRFAFQNLTQLRYLNLSSTSLRKINAAWFKNMPHLKVLDLEFNYLVGEIASGAFLTMLPRLEILDLSFNYIKGSYPQHINISRNFSKLLSLRALHLRGYVFQELREDDFQPLMQLPNLSTINLGINFIKQIDFKLFQNFSNLEIIYLSENRISPLVKDTRQSYANSSSFQRHIRKRRSTDFEFDPHSNFYHFTRPLIKPQCAAYGKALDLSLNSIFFIGPNQFENLPDIACLNLSANSNAQVLSGTEFSAIPHVKYLDLTNNRLDFDNASALTELSDLEVLDLSYNSHYFRIAGVTHHLEFIQNFTNLKVLNLSHNNIYTLTDKYNLESKSLVELVFSGNRLDILWNDDDNRYISIFKGLKNLTRLDLSLNRLKHIPNEAFLNLPASLTELHINDNMLKFFNWTLLQQFPRLELLDLRGNKLLFLTDSLSDFTSSLRTLLLSHNRISHLPSGFLSEVSSLKHLDLSSNLLKTINKSALETKTTTKLSMLELHGNPFECTCDIGDFRRWMDEHLNVKIPRLVDVICASPGDQRGKSIVSLELTTCVSDVTAVILFFFTFFITTMVMLAALAHHLFYWDVWFIYNVCLAKVKGYRSLSTSQTFYDAYISYDTKDASVTDWVINELRYHLEESRDKNVLLCLEERDWDPGLAIIDNLMQSINQSKKTVFVLTKKYAKSWNFKTAFYLALQRLMDENMDVIIFILLEPVLQHSQYLRLRQRICKSSILQWPDNPKAEGLFWQTLRNVVLTENDSRYNNMYVDSIKQY
  
Inhibitor
Name:
BDBM50514798
Synonyms:
CHEMBL4554556
Type:
Small organic molecule
Emp. Form.:
C9H7Cl2N3OS
Mol. Mass.:
276.142
SMILES:
CSc1nnc(O)n1-c1ccc(Cl)cc1Cl |(9.88,-10.43,;8.76,-11.48,;7.28,-11.04,;6.78,-9.58,;5.24,-9.61,;4.79,-11.09,;3.34,-11.59,;6.06,-11.97,;6.09,-13.51,;7.43,-14.25,;7.47,-15.79,;6.15,-16.59,;6.18,-18.13,;4.8,-15.84,;4.77,-14.3,;3.42,-13.56,)|
Structure:
Search PDB for entries with ligand similarity: