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Target
Toll-like receptor 4
Ligand
BDBM50029086
Substrate
n/a
Meas. Tech.
ChEMBL_1435529 (CHEMBL3385349)
IC50
3900±n/a nM
Citation
 Rodriguez Lavado, J; Sestito, SE; Cighetti, R; Aguilar Moncayo, EM; Oblak, A; Lain?cek, D; Jiménez Blanco, JL; García Fernández, JM; Ortiz Mellet, C; Jerala, R; Calabrese, V; Peri, F Trehalose- and glucose-derived glycoamphiphiles: small-molecule and nanoparticle Toll-like receptor 4 (TLR4) modulators. J Med Chem 57:9105-23 (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:
BDBM50029086
Synonyms:
CHEMBL3360816
Type:
Small organic molecule
Emp. Form.:
C34H66ClN5O8S2
Mol. Mass.:
772.5
SMILES:
Cl.CCCCCC(=O)O[C@@H]1[C@@H](CSCCNC(=S)NCCN(CCN)CCN)O[C@H](OC)[C@H](OC(=O)CCCCC)[C@H]1OC(=O)CCCCC |r|
Structure:
Search PDB for entries with ligand similarity: