Ligand |
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| Ligand Name: 8-OXO-2'-DEOXYGUANOSINE-5'-TRIPHOSPHATE | ||
| HET ID: 8DG | PubChem: 135398565 | |
| DrugBank: - | ChEMBL: CHEMBL1230621 | |
| Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1CO[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O)n1c(=O)[nH]c2c1nc(N)[nH]c2=O | ||
| Standard InChI: InChI=1S/C10H16N5O14P3/c11-9-13-7-6(8(17)14-9)12-10(18)15(7)5-1-3(16)4(27-5)2-26-31(22,23)29-32(24,25)28-30(19,20)21/h3-5,16H,1-2H2,(H,12,18)(H,22,23)(H,24,25)(H2,19,20,21)(H3,11,13,14,17)/t3-,4+,5+/m0/s1 | ||
| Molecular Formula: C10H16N5O14P3 | Mol. Weight: 523.1804 | Heavy Atoms: 32 |
| Charge: 0 | Is Chiral: True | logP: -1.432 |
| HBD: 8 | HBA: 17 | TPSA: 328.27 |
| #Bonds: 39 | #Rotatable Bonds: 8 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.5 | Ligand Type: Small Molecule | |
Binding Affinity |
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