Ligand |
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| Ligand Name: URIDINE | ||
| HET ID: URI | PubChem: 6029 | |
| DrugBank: DB02745 | ChEMBL: CHEMBL100259 | |
| Canonical SMILES: OC[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1ccc(=O)[nH]c1=O | ||
| Standard InChI: InChI=1S/C9H12N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4,6-8,12,14-15H,3H2,(H,10,13,16)/t4-,6-,7-,8-/m1/s1 | ||
| Molecular Formula: C9H12N2O6 | Mol. Weight: 244.20139 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: True | logP: -2.8519 |
| HBD: 4 | HBA: 7 | TPSA: 124.78 |
| #Bonds: 23 | #Rotatable Bonds: 2 | Shape Complexity: 0.5555556 |
| Stereocomplexity: 0.44444445 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Kd : 55000 nM |