Ligand

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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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