Ligand

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Ligand Name:   [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl] dihydrogen phosphate
HET ID:   3AM PubChem:   41211
DrugBank:   - ChEMBL:   CHEMBL576739
Canonical SMILES:   OC[C@H]1O[C@H]([C@@H]([C@@H]1OP(=O)(O)O)O)n1cnc2c1ncnc2N
Standard InChI:   InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-6(17)7(4(1-16)21-10)22-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
Molecular Formula:   C10H14N5O7P Mol. Weight:   347.22122 Heavy Atoms:   23
Charge:   0 Is Chiral:   True logP:   -1.2818
HBD:   5 HBA:   12 TPSA:   195.88
#Bonds:   29 #Rotatable Bonds:   4 Shape Complexity:   0.5
Stereocomplexity:   0.4
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Lipoprotein E P26093 (HEL_HAEIN) Haemophilus influenzae 3OCW
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Acid phosphatase None () Francisella tularensis 3IT3
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