Reaction Details Report a problem with these data
Target
Toll-like receptor 4
Ligand
BDBM50351547
Substrate
n/a
Meas. Tech.
ChEMBL_765884 (CHEMBL1827810)
IC50
27800±n/a nM
Citation
 Chavez, SA; Martinko, AJ; Lau, C; Pham, MN; Cheng, K; Bevan, DE; Mollnes, TE; Yin, H Development ofß-amino alcohol derivatives that inhibit Toll-like receptor 4 mediated inflammatory response as potential antiseptics. J Med Chem 54:4659-69 (2011) [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:
BDBM50351547
Synonyms:
CHEMBL1223751
Type:
Small organic molecule
Emp. Form.:
C25H32ClN3O3
Mol. Mass.:
457.993
SMILES:
CCOc1ccc(OCC(O)CN(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)cc1
Structure:
Search PDB for entries with ligand similarity: