Ligand
Ligand Name:   RDR03785
Ligand Type:   non-polymer
Ligand ID:   COVPDB311 PubChem:   7219354
Synonym(s):  
  •   schembl21914635
  • zinc19358636
show 1 synonym(s)
DrugBank:   - ChEMBL:   -
Canonical SMILES:   O1COc(c12)cc(O)c(c2)[C@H](N3CCOCC3)c4ccc(C(F)(F)F)cc4
Standard InChI:   InChI=1S/C19H18F3NO4/c20-19(21,22)13-3-1-12(2-4-13)18(23-5-7-25-8-6-23)14-9-16-17(10-15(14)24)27-11-26-16/h1-4,9-10,18,24H,5-8,11H2/t18-/m1/s1
Molecular Formula:   C19H18F3NO4 Mol. Weight:   381.1188 logP:   3.5613
HBD:   1 HBA:   5
#Rotatable Bonds:   3 TPSA:   51.16

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Macrophage migration inhibitory factor P14174 (MIF_HUMAN) Homo sapiens (Human) 5J7P 6H1 Ki : 52 nM PDBBind SHOW