Reaction Details Report a problem with these data
Target
Toll-like receptor 4
Ligand
BDBM50029089
Substrate
n/a
Meas. Tech.
ChEMBL_1435529 (CHEMBL3385349)
IC50
200±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
More Info.:
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:
BDBM50029089
Synonyms:
CHEMBL3360821
Type:
Small organic molecule
Emp. Form.:
C62H111ClN12O15
Mol. Mass.:
1300.069
SMILES:
Cl.[H][C@]1(O[C@H]2O[C@H](Cn3cc(CN(CCN)CCN)nn3)[C@@H](OC(=O)CCCCC)[C@H](OC(=O)CCCCC)[C@@H]2OC(=O)CCCCC)O[C@H](Cn2cc(CN(CCN)CCN)nn2)[C@@H](OC(=O)CCCCC)[C@H](OC(=O)CCCCC)[C@H]1OC(=O)CCCCC |r|