Reaction Details Report a problem with these data
Target
Toll-like receptor 4
Ligand
BDBM50177125
Substrate
n/a
Meas. Tech.
ChEMBL_1875504 (CHEMBL4376793)
IC50
40±n/a nM
Citation
 Plunk, MA; Alaniz, A; Olademehin, OP; Ellington, TL; Shuford, KL; Kane, RR Design and Catalyzed Activation of Tak-242 Prodrugs for Localized Inhibition of TLR4-Induced Inflammation. ACS Med Chem Lett 11:141-146 (2020) [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:
BDBM50177125
Synonyms:
6-(2-Chloro-4-fluoro-phenylsulfamoyl)-cyclohex-1-enecarboxylic acid ethyl ester | CHEMBL426184 | ethyl 6-[N-(2-chloro-4-fluorophenyl)sulfamoyl]cyclohex-1-ene-1-carboxylate
Type:
Small organic molecule
Emp. Form.:
C15H17ClFNO4S
Mol. Mass.:
361.816
SMILES:
CCOC(=O)C1=CCCCC1S(=O)(=O)Nc1ccc(F)cc1Cl |t:5|
Structure:
Search PDB for entries with ligand similarity: