Ligand

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Ligand Name:   6-AMINO-3,9-DIMETHYL-9H-PURIN-3-IUM
HET ID:   39A PubChem:   447936
DrugBank:   DB03730 ChEMBL:   CHEMBL1230068
Canonical SMILES:   Cn1cnc2c1[n+](C)cnc2N
Standard InChI:   InChI=1S/C7H9N5/c1-11-3-9-5-6(8)10-4-12(2)7(5)11/h3-4,8H,1-2H3/p+1
Molecular Formula:   C7H10N5+ Mol. Weight:   164.1878 Heavy Atoms:   12
Charge:   1 Is Chiral:   False logP:   -0.0438
HBD:   1 HBA:   4 TPSA:   60.61
#Bonds:   13 #Rotatable Bonds:   0 Shape Complexity:   0.2857143
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Endonuclease III O25323 (O25323_HELPY) Helicobacter pylori 1PU7 Ki : 800000.0 nM PDBBind SHOW
Endonuclease III O25323 (O25323_HELPY) Helicobacter pylori 1PU7 Ki : 800000.0 nM Binding MOAD SHOW