Ligand

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Ligand Name:   (4R)-4-(3-butoxy-4-methoxybenzyl)imidazolidin-2-one
HET ID:   0MO PubChem:   6603746
DrugBank:   DB06842 ChEMBL:   CHEMBL1229585
Canonical SMILES:   CCCCOc1cc(ccc1OC)C[C@@H]1CNC(=O)N1
Standard InChI:   InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)/t12-/m1/s1
Molecular Formula:   C15H22N2O3 Mol. Weight:   278.34677 Heavy Atoms:   20
Charge:   0 Is Chiral:   True logP:   2.7556
HBD:   2 HBA:   5 TPSA:   59.59
#Bonds:   22 #Rotatable Bonds:   7 Shape Complexity:   0.53333336
Stereocomplexity:   0.06666667
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
cAMP-specific 3',5'-cyclic phosphodiesterase 4A P27815 (PDE4A_HUMAN) Homo sapiens 3I8V IC50 : 4300.0 nM, EC50 : 3300.0 nM, IC50 : 4800.0 nM, IC50 : 26000.0 nM BindingDB SHOW
cAMP-specific 3',5'-cyclic phosphodiesterase 4D Q08499 (PDE4D_HUMAN) Homo sapiens 3K4S
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