Reaction Details Report a problem with these data
Target
Toll-like receptor 4
Ligand
BDBM50011391
Substrate
n/a
Meas. Tech.
ChEMBL_1352357 (CHEMBL3269774)
EC50
3100±n/a nM
Citation
 Neve, JE; Wijesekera, HP; Duffy, S; Jenkins, ID; Ripper, JA; Teague, SJ; Campitelli, M; Garavelas, A; Nikolakopoulos, G; Le, PV; de A Leone, P; Pham, NB; Shelton, P; Fraser, N; Carroll, AR; Avery, VM; McCrae, C; Williams, N; Quinn, RJ Euodenine A: a small-molecule agonist of human TLR4. J Med Chem 57:1252-75 (2014) [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:
BDBM50011391
Synonyms:
CHEMBL3261248
Type:
Small organic molecule
Emp. Form.:
C26H28FNO3
Mol. Mass.:
421.5038
SMILES:
[H][C@@]12[C@@H]([C@@H](CC)[C@]1([H])C(C)(C)Oc1c2c(=O)n(C)c2ccccc12)c1ccc(OC)c(F)c1 |r|
Structure:
Search PDB for entries with ligand similarity: