Ligand |
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| Ligand Name: 2'-deoxy-8-oxoguanosine 5'-(trihydrogen diphosphate) | ||
| HET ID: 8GD | PubChem: 135566400 | |
| DrugBank: - | ChEMBL: CHEMBL1230625 | |
| Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1C)n1c(=O)[nH]c2c1nc(N)[nH]c2=O | ||
| Standard InChI: InChI=1S/C10H13N5O4/c1-3-4(16)2-5(19-3)15-7-6(12-10(15)18)8(17)14-9(11)13-7/h3-5,16H,2H2,1H3,(H,12,18)(H3,11,13,14,17)/t3-,4+,5-/m1/s1 | ||
| Molecular Formula: C10H13N5O4 | Mol. Weight: 267.24133 | Heavy Atoms: 19 |
| Charge: 0 | Is Chiral: True | logP: -0.7554 |
| HBD: 4 | HBA: 7 | TPSA: 139.02 |
| #Bonds: 26 | #Rotatable Bonds: 1 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.3 | Ligand Type: Small Molecule | |
Binding Affinity |
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