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Target
Toll-like receptor 4
Ligand
BDBM50595024
Substrate
n/a
Meas. Tech.
ChEMBL_2215181 (CHEMBL5128313)
IC50
150±n/a nM
Citation
 Zhang, Y; Liang, X; Bao, X; Xiao, W; Chen, G Toll-like receptor 4 (TLR4) inhibitors: Current research and prospective. Eur J Med Chem 235:0 (2022) [PubMed] 
Target
Name:
Toll-like receptor 4
Synonyms:
TLR4 | TLR4-MD2 | TLR4_HUMAN
Type:
PROTEIN
Mol. Mass.:
95675.49
Organism:
Homo sapiens (Human)
Description:
ChEMBL_1436169
Residue:
839
Sequence:
MMSASRLAGTLIPAMAFLSCVRPESWEPCVEVVPNITYQCMELNFYKIPDNLPFSTKNLDLSFNPLRHLGSYSFFSFPELQVLDLSRCEIQTIEDGAYQSLSHLSTLILTGNPIQSLALGAFSGLSSLQKLVAVETNLASLENFPIGHLKTLKELNVAHNLIQSFKLPEYFSNLTNLEHLDLSSNKIQSIYCTDLRVLHQMPLLNLSLDLSLNPMNFIQPGAFKEIRLHKLTLRNNFDSLNVMKTCIQGLAGLEVHRLVLGEFRNEGNLEKFDKSALEGLCNLTIEEFRLAYLDYYLDDIIDLFNCLTNVSSFSLVSVTIERVKDFSYNFGWQHLELVNCKFGQFPTLKLKSLKRLTFTSNKGGNAFSEVDLPSLEFLDLSRNGLSFKGCCSQSDFGTTSLKYLDLSFNGVITMSSNFLGLEQLEHLDFQHSNLKQMSEFSVFLSLRNLIYLDISHTHTRVAFNGIFNGLSSLEVLKMAGNSFQENFLPDIFTELRNLTFLDLSQCQLEQLSPTAFNSLSSLQVLNMSHNNFFSLDTFPYKCLNSLQVLDYSLNHIMTSKKQELQHFPSSLAFLNLTQNDFACTCEHQSFLQWIKDQRQLLVEVERMECATPSDKQGMPVLSLNITCQMNKTIIGVSVLSVLVVSVVAVLVYKFYFHLMLLAGCIKYGRGENIYDAFVIYSSQDEDWVRNELVKNLEEGVPPFQLCLHYRDFIPGVAIAANIIHEGFHKSRKVIVVVSQHFIQSRWCIFEYEIAQTWQFLSSRAGIIFIVLQKVEKTLLRQQVELYRLLSRNTYLEWEDSVLGRHIFWRRLRKALLDGKSWNPEGTVGTGCNWQEATSI
  
Inhibitor
Name:
BDBM50595024
Synonyms:
CHEMBL5193233
Type:
Small organic molecule
Emp. Form.:
C54H90N6O31
Mol. Mass.:
1319.314
SMILES:
[H][C@@]1(O[C@H]2[C@H](O)[C@@H](NC(C)=O)[C@]([H])(O[C@H]3[C@H](O)[C@@H](NC(C)=O)[C@]([H])(O[C@H]4[C@H](O)[C@@H](NC(C)=O)[C@]([H])(O[C@H]5[C@H](O)[C@@H](NC(C)=O)[C@]([H])(O[C@H]6[C@H](O)[C@@H](NC(C)=O)[C@H](OC7CCCCC7)O[C@@H]6CO)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1NC(C)=O |r|
Structure:
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