Reaction Details Report a problem with these data
Target
Toll-like receptor 2
Ligand
BDBM50570369
Substrate
n/a
Meas. Tech.
ChEMBL_2112056 (CHEMBL4820906)
IC50
2600±n/a nM
Citation
 Natala, SR; Habas, A; Stocking, EM; Orry, A; Price, DL; Gill, MB; Bonhaus, DW; Abagyan, R; Wrasidlo, W Structure based design and synthesis of novel Toll-like Receptor 2 (TLR 2) lipid antagonists. Bioorg Med Chem Lett 40:0 (2021) [PubMed]  Article 
Target
Name:
Toll-like receptor 2
Synonyms:
TIL4 | TLR2 | TLR2_HUMAN | Toll-like receptor 2 | Toll-like receptor 2 (TLR2)
Type:
Protein
Mol. Mass.:
89837.58
Organism:
Homo sapiens (Human)
Description:
O60603
Residue:
784
Sequence:
MPHTLWMVWVLGVIISLSKEESSNQASLSCDRNGICKGSSGSLNSIPSGLTEAVKSLDLSNNRITYISNSDLQRCVNLQALVLTSNGINTIEEDSFSSLGSLEHLDLSYNYLSNLSSSWFKPLSSLTFLNLLGNPYKTLGETSLFSHLTKLQILRVGNMDTFTKIQRKDFAGLTFLEELEIDASDLQSYEPKSLKSIQNVSHLILHMKQHILLLEIFVDVTSSVECLELRDTDLDTFHFSELSTGETNSLIKKFTFRNVKITDESLFQVMKLLNQISGLLELEFDDCTLNGVGNFRASDNDRVIDPGKVETLTIRRLHIPRFYLFYDLSTLYSLTERVKRITVENSKVFLVPCLLSQHLKSLEYLDLSENLMVEEYLKNSACEDAWPSLQTLILRQNHLASLEKTGETLLTLKNLTNIDISKNSFHSMPETCQWPEKMKYLNLSSTRIHSVTGCIPKTLEILDVSNNNLNLFSLNLPQLKELYISRNKLMTLPDASLLPMLLVLKISRNAITTFSKEQLDSFHTLKTLEAGGNNFICSCEFLSFTQEQQALAKVLIDWPANYLCDSPSHVRGQQVQDVRLSVSECHRTALVSGMCCALFLLILLTGVLCHRFHGLWYMKMMWAWLQAKRKPRKAPSRNICYDAFVSYSERDAYWVENLMVQELENFNPPFKLCLHKRDFIPGKWIIDNIIDSIEKSHKTVFVLSENFVKSEWCKYELDFSHFRLFDENNDAAILILLEPIEKKAIPQRFCKLRKIMNTKTYLEWPMDEAQREGFWVNLRAAIKS
  
Inhibitor
Name:
BDBM50570369
Synonyms:
CHEMBL4845765
Type:
Small organic molecule
Emp. Form.:
C45H82ClN3O5
Mol. Mass.:
780.603
SMILES:
Cl.CCCCCCCCCCCCCCOCC(CNC(=O)C1(CCNCC1)NC(=O)OCc1ccccc1)OCCCCCCCCCCCCCC
Structure:
Search PDB for entries with ligand similarity: