Reaction Details Report a problem with these data
Target
Toll-like receptor 2
Ligand
BDBM50315416
Substrate
n/a
Meas. Tech.
ChEMBL_626546 (CHEMBL1108919)
IC50
48±n/a nM
Citation
 Wu, W; Li, R; Malladi, SS; Warshakoon, HJ; Kimbrell, MR; Amolins, MW; Ukani, R; Datta, A; David, SA Structure-activity relationships in toll-like receptor-2 agonistic diacylthioglycerol lipopeptides. J Med Chem 53:3198-213 (2010) [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:
BDBM50315416
Synonyms:
(R)-3-((R)-2-Amino-3-((S)-3-hydroxy-1-methoxy-1-oxopropan-2-ylamino)-3-oxopropylthio)-2-palmitamidopropyl Palmitate, Trifluoroacetate | CHEMBL1092429
Type:
Small organic molecule
Emp. Form.:
C42H81N3O7S
Mol. Mass.:
772.173
SMILES:
CCCCCCCCCCCCCCCC(=O)N[C@H](COC(=O)CCCCCCCCCCCCCCC)CSC[C@H](N)C(=O)N[C@@H](CO)C(=O)OC |r|
Structure:
Search PDB for entries with ligand similarity: