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Target
Toll-like receptor 4
Ligand
BDBM50275659
Substrate
n/a
Meas. Tech.
ChEMBL_492775 (CHEMBL939463)
IC50
5.3±n/a nM
Citation
 Bazin, HG; Murray, TJ; Bowen, WS; Mozaffarian, A; Fling, SP; Bess, LS; Livesay, MT; Arnold, JS; Johnson, CL; Ryter, KT; Cluff, CW; Evans, JT; Johnson, DA The 'Ethereal' nature of TLR4 agonism and antagonism in the AGP class of lipid A mimetics. Bioorg Med Chem Lett 18:5350-4 (2008) [PubMed]  Article 
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:
BDBM50275659
Synonyms:
(S)-2-((R)-3-(hexyloxy)tetradecanamido)-3-((2R,3R,4R,5S,6R)-3-((R)-3-(hexyloxy)tetradecanamido)-4-((R)-3-(hexyloxy)tetradecanoyloxy)-6-(hydroxymethyl)-5-(phosphonooxy)tetrahydro-2H-pyran-2-yloxy)propanoic acid | CHEMBL501231
Type:
Small organic molecule
Emp. Form.:
C69H133N2O16P
Mol. Mass.:
1277.7719
SMILES:
CCCCCCCCCCC[C@H](CC(=O)N[C@@H](CO[C@@H]1O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCC)[C@H]1NC(=O)C[C@@H](CCCCCCCCCCC)OCCCCCC)C(O)=O)OCCCCCC |r|
Structure:
Search PDB for entries with ligand similarity: