Ligand Download |
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Ligand Name: 3-ISOBUTYL-1-METHYLXANTHINE | ||
HET ID: IBM | PubChem: 3758 | |
DrugBank: DB07954 | ChEMBL: CHEMBL275084 | |
Canonical SMILES: CC(Cn1c(=O)n(C)c(=O)c2c1[nH]cn2)C | ||
Standard InChI: InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12) | ||
Molecular Formula: C10H14N4O2 | Mol. Weight: 222.24376 | Heavy Atoms: 16 |
Charge: 0 | Is Chiral: False | logP: 0.0793 |
HBD: 1 | HBA: 5 | TPSA: 72.68 |
#Bonds: 18 | #Rotatable Bonds: 2 | Shape Complexity: 0.5 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
cAMP-specific 3',5'-cyclic phosphodiesterase 4D | Q08499 (PDE4D_HUMAN) | Homo sapiens | 1ZKN |
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