Ligand
Ligand Name:   PRC1214
Ligand Type:   non-polymer
Ligand ID:   COVPDB583 PubChem:   122192583
Synonym(s):  
  •   chembl3623558
  • bdbm50124872
show 1 synonym(s)
DrugBank:   - ChEMBL:   CHEMBL3623558
Canonical SMILES:   CCC(CC)n1cc(cn1)C(=O)C(F)F
Standard InChI:   InChI=1S/C10H14F2N2O/c1-3-8(4-2)14-6-7(5-13-14)9(15)10(11)12/h5-6,8,10H,3-4H2,1-2H3
Molecular Formula:   C10H14F2N2O Mol. Weight:   216.10742 logP:   2.692
HBD:   0 HBA:   3
#Rotatable Bonds:   5 TPSA:   34.89

Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID HET Code Binding Affinity Binding Database Complex Card
Acetylcholinesterase Q869C3 (ACES_ANOGA) Anopheles gambiae (African malaria mosquito) 6ARY BT7 IC50 : 25.1 nM PDBBind SHOW