Reaction Details Report a problem with these data
Target
Lymphocyte antigen 96
Ligand
BDBM50239336
Substrate
n/a
Meas. Tech.
ChEMBL_1665929 (CHEMBL4015725)
IC50
10000±n/a nM
Citation
 Sestito, SE; Facchini, FA; Morbioli, I; Billod, JM; Martin-Santamaria, S; Casnati, A; Sansone, F; Peri, F Amphiphilic Guanidinocalixarenes Inhibit Lipopolysaccharide (LPS)- and Lectin-Stimulated Toll-like Receptor 4 (TLR4) Signaling. J Med Chem 60:4882-4892 (2017) [PubMed]  Article 
Target
Name:
Lymphocyte antigen 96
Synonyms:
ESOP-1 | ESOP1 | ESOP1 | LY96 | LY96_HUMAN | Ly-96 | Lymphocyte antigen 96 | MD2 | Protein MD-2 | TLR4-MD2
Type:
PROTEIN
Mol. Mass.:
18551.39
Organism:
Homo sapiens (Human)
Description:
ChEMBL_107939
Residue:
160
Sequence:
MLPFLFFSTLFSSIFTEAQKQYWVCNSSDASISYTYCDKMQYPISINVNPCIELKRSKGLLHIFYIPRRDLKQLYFNLYITVNTMNLPKRKEVICRGSDDDYSFCRALKGETVNTTISFSFKGIKFSKGKYKCVVEAISGSPEEMLFCLEFVILHQPNSN
  
Inhibitor
Name:
BDBM50239336
Synonyms:
CHEMBL4093531
Type:
Small organic molecule
Emp. Form.:
C60H96Cl4N12O4
Mol. Mass.:
1191.294
SMILES:
Cl.Cl.Cl.Cl.CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc(c1)c2OCCCNC(N)=N)c5OCCCNC(N)=N)C(C)(C)C)c4OCCCNC(N)=N)C(C)(C)C)c3OCCCNC(N)=N)C(C)(C)C
Structure:
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