Reaction Details Report a problem with these data
Target
Toll-like receptor 1
Ligand
BDBM50511993
Substrate
n/a
Meas. Tech.
ChEMBL_2266640
EC50
0.110000±n/a nM
Citation
 Kaur, A; Kaushik, D; Piplani, S; Mehta, SK; Petrovsky, N; Salunke, DB TLR2 Agonistic Small Molecules: Detailed Structure-Activity Relationship, Applications, and Future Prospects. J Med Chem 64:233-278 (2021) [PubMed] 
Target
Name:
Toll-like receptor 1
Synonyms:
CD_antigen=CD281 | KIAA0012 | TIL | TLR1 | TLR1_HUMAN | Toll-like receptor 1 | Toll/interleukin-1 receptor-like protein
Type:
PROTEIN
Mol. Mass.:
90298.92
Organism:
Homo sapiens
Description:
ChEMBL_117187
Residue:
786
Sequence:
MTSIFHFAIIFMLILQIRIQLSEESEFLVDRSKNGLIHVPKDLSQKTTILNISQNYISELWTSDILSLSKLRILIISHNRIQYLDISVFKFNQELEYLDLSHNKLVKISCHPTVNLKHLDLSFNAFDALPICKEFGNMSQLKFLGLSTTHLEKSSVLPIAHLNISKVLLVLGETYGEKEDPEGLQDFNTESLHIVFPTNKEFHFILDVSVKTVANLELSNIKCVLEDNKCSYFLSILAKLQTNPKLSNLTLNNIETTWNSFIRILQLVWHTTVWYFSISNVKLQGQLDFRDFDYSGTSLKALSIHQVVSDVFGFPQSYIYEIFSNMNIKNFTVSGTRMVHMLCPSKISPFLHLDFSNNLLTDTVFENCGHLTELETLILQMNQLKELSKIAEMTTQMKSLQQLDISQNSVSYDEKKGDCSWTKSLLSLNMSSNILTDTIFRCLPPRIKVLDLHSNKIKSIPKQVVKLEALQELNVAFNSLTDLPGCGSFSSLSVLIIDHNSVSHPSADFFQSCQKMRSIKAGDNPFQCTCELGEFVKNIDQVSSEVLEGWPDSYKCDYPESYRGTLLKDFHMSELSCNITLLIVTIVATMLVLAVTVTSLCSYLDLPWYLRMVCQWTQTRRRARNIPLEELQRNLQFHAFISYSGHDSFWVKNELLPNLEKEGMQICLHERNFVPGKSIVENIITCIEKSYKSIFVLSPNFVQSEWCHYELYFAHHNLFHEGSNSLILILLEPIPQYSIPSSYHKLKSLMARRTYLEWPKEKSKRGLFWANLRAAINIKLTEQAKK
  
Inhibitor
Name:
BDBM50511993
Synonyms:
CHEMBL4472879
Type:
Small organic molecule
Emp. Form.:
C56H56N6O6
Mol. Mass.:
909.0804
SMILES:
O=C(N[C@H]1C[C@@H]1c1ccccc1)[C@@H]1CN(C[C@H]1C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)c1ccc(cc1)C(=O)N1C[C@H]([C@@H](C1)C(=O)N[C@H]1C[C@@H]1c1ccccc1)C(=O)N[C@H]1C[C@@H]1c1ccccc1 |r|
Structure:
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