Reaction Details Report a problem with these data
Target
Macrophage migration inhibitory factor
Ligand
BDBM50399054
Substrate
n/a
Meas. Tech.
ChEMBL_878773 (CHEMBL2183713)
Ki
43±n/a nM
Citation
 Dahlgren, MK; Garcia, AB; Hare, AA; Tirado-Rives, J; Leng, L; Bucala, R; Jorgensen, WL Virtual screening and optimization yield low-nanomolar inhibitors of the tautomerase activity of Plasmodium falciparum macrophage migration inhibitory factor. J Med Chem 55:10148-59 (2012) [PubMed]  Article 
Target
Name:
Macrophage migration inhibitory factor
Synonyms:
Macrophage migration inhibitory factor (MIF)
Type:
Enzyme
Mol. Mass.:
12844.38
Organism:
Plasmodium falciparum
Description:
Q6Q3H7
Residue:
116
Sequence:
MPCCEVITNVNLPDDNVQSTLSQIENAISDVMGKPLGYIMSNYDYQKNLRFGGSNEAYCFVRITSIGGINRSNNSALADQITKLLVSNLNVKSRRIYVEFRDCSAQNFAFSGSLFG
  
Inhibitor
Name:
BDBM50399054
Synonyms:
CHEMBL2178851
Type:
Small organic molecule
Emp. Form.:
C17H20N2O3
Mol. Mass.:
300.3523
SMILES:
COc1cccc(Oc2cc(C)nc(c2)N2CCOCC2)c1
Structure:
Search PDB for entries with ligand similarity: