Ligand |
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| Ligand Name: O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE | ||
| HET ID: GSU | PubChem: 9547921 | |
| DrugBank: - | ChEMBL: CHEMBL1163071 | |
| Canonical SMILES: OC(=O)CC[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/C15H21N7O9S/c16-6(1-2-8(23)24)14(27)21-32(28,29)30-3-7-10(25)11(26)15(31-7)22-5-20-9-12(17)18-4-19-13(9)22/h4-7,10-11,15,25-26H,1-3,16H2,(H,21,27)(H,23,24)(H2,17,18,19)/t6-,7+,10+,11+,15+/m0/s1 | ||
| Molecular Formula: C15H21N7O9S | Mol. Weight: 475.43375 | Heavy Atoms: 32 |
| Charge: 0 | Is Chiral: True | logP: -0.6494 |
| HBD: 6 | HBA: 16 | TPSA: 263.48 |
| #Bonds: 39 | #Rotatable Bonds: 10 | Shape Complexity: 0.53333336 |
| Stereocomplexity: 0.33333334 | Ligand Type: Small Molecule | |
Binding Affinity |
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