Ligand |
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Ligand Name: PRC1214 | ||
Ligand Type: non-polymer | ||
Ligand ID: COVPDB583 | PubChem: 122192583 | |
Synonym(s):
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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 |