Ligand |
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| Ligand Name: 5'-O-(L-alpha-aspartylsulfamoyl)adenosine | ||
| HET ID: DSZ | PubChem: 11190411 | |
| DrugBank: - | ChEMBL: CHEMBL1163057 | |
| Canonical SMILES: OC(=O)C[C@@H](C(=O)NS(=O)(=O)OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)N | ||
| Standard InChI: InChI=1S/C14H19N7O9S/c15-5(1-7(22)23)13(26)20-31(27,28)29-2-6-9(24)10(25)14(30-6)21-4-19-8-11(16)17-3-18-12(8)21/h3-6,9-10,14,24-25H,1-2,15H2,(H,20,26)(H,22,23)(H2,16,17,18)/t5-,6+,9+,10+,14+/m0/s1 | ||
| Molecular Formula: C14H19N7O9S | Mol. Weight: 461.40717 | Heavy Atoms: 31 |
| Charge: 0 | Is Chiral: True | logP: -1.0395 |
| HBD: 6 | HBA: 16 | TPSA: 263.48 |
| #Bonds: 38 | #Rotatable Bonds: 9 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.35714287 | Ligand Type: Small Molecule | |
Binding Affinity |
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