Reaction Details Report a problem with these data
Target
Toll-like receptor 4
Ligand
BDBM50089805
Substrate
n/a
Meas. Tech.
ChEMBL_1496719 (CHEMBL3579422)
IC50
1200±n/a nM
Citation
 Selfridge, BR; Wang, X; Zhang, Y; Yin, H; Grace, PM; Watkins, LR; Jacobson, AE; Rice, KC Structure-Activity Relationships of (+)-Naltrexone-Inspired Toll-like Receptor 4 (TLR4) Antagonists. J Med Chem 58:5038-52 (2015) [PubMed]  Article 
Target
Name:
Toll-like receptor 4
Synonyms:
CD_antigen=CD284 | Lps | TLR4_MOUSE | Tlr4 | Toll-like receptor 4 | Toll-like receptor 4/Ly96 | Toll-like receptor 4/MD-2/CD14
Type:
PROTEIN
Mol. Mass.:
95518.84
Organism:
Mus musculus
Description:
ChEMBL_1496719
Residue:
835
Sequence:
MMPPWLLARTLIMALFFSCLTPGSLNPCIEVVPNITYQCMDQKLSKVPDDIPSSTKNIDLSFNPLKILKSYSFSNFSELQWLDLSRCEIETIEDKAWHGLHHLSNLILTGNPIQSFSPGSFSGLTSLENLVAVETKLASLESFPIGQLITLKKLNVAHNFIHSCKLPAYFSNLTNLVHVDLSYNYIQTITVNDLQFLRENPQVNLSLDMSLNPIDFIQDQAFQGIKLHELTLRGNFNSSNIMKTCLQNLAGLHVHRLILGEFKDERNLEIFEPSIMEGLCDVTIDEFRLTYTNDFSDDIVKFHCLANVSAMSLAGVSIKYLEDVPKHFKWQSLSIIRCQLKQFPTLDLPFLKSLTLTMNKGSISFKKVALPSLSYLDLSRNALSFSGCCSYSDLGTNSLRHLDLSFNGAIIMSANFMGLEELQHLDFQHSTLKRVTEFSAFLSLEKLLYLDISYTNTKIDFDGIFLGLTSLNTLKMAGNSFKDNTLSNVFANTTNLTFLDLSKCQLEQISWGVFDTLHRLQLLNMSHNNLLFLDSSHYNQLYSLSTLDCSFNRIETSKGILQHFPKSLAFFNLTNNSVACICEHQKFLQWVKEQKQFLVNVEQMTCATPVEMNTSLVLDFNNSTCYMYKTIISVSVVSVIVVSTVAFLIYHFYFHLILIAGCKKYSRGESIYDAFVIYSSQNEDWVRNELVKNLEEGVPRFHLCLHYRDFIPGVAIAANIIQEGFHKSRKVIVVVSRHFIQSRWCIFEYEIAQTWQFLSSRSGIIFIVLEKVEKSLLRQQVELYRLLSRNTYLEWEDNPLGRHIFWRRLKNALLDGKASNPEQTAEEEQETATWT
  
Inhibitor
Name:
BDBM50089805
Synonyms:
CHEMBL3577590
Type:
Small organic molecule
Emp. Form.:
C26H29NO4
Mol. Mass.:
419.5128
SMILES:
[H][C@]12Oc3c4c(C[C@]5([H])N(CCCCc6ccccc6)CC[C@]14[C@]5(O)CCC2=O)ccc3O |r,THB:10:9:23:4.5.6|
Structure:
Search PDB for entries with ligand similarity: