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Target
Toll-like receptor 8
Ligand
BDBM50514817
Substrate
n/a
Meas. Tech.
ChEMBL_1858564 (CHEMBL4359293)
IC50
>20000±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:
BDBM50514817
Synonyms:
CHEMBL4456082
Type:
Small organic molecule
Emp. Form.:
C13H14Cl2N4O2S
Mol. Mass.:
361.247
SMILES:
NC(=O)CSc1nnc(CCCO)n1-c1ccc(Cl)cc1Cl |(16.15,-7.78,;15.78,-6.29,;16.89,-5.22,;14.3,-5.86,;13.19,-6.93,;11.71,-6.5,;11.18,-5.06,;9.65,-5.11,;9.22,-6.59,;7.77,-7.12,;6.59,-6.13,;5.15,-6.65,;3.97,-5.66,;10.5,-7.45,;10.55,-8.99,;9.24,-9.81,;9.3,-11.35,;10.65,-12.07,;10.71,-13.61,;11.96,-11.25,;11.91,-9.71,;13.21,-8.9,)|
Structure:
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