Ligand |
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| Ligand Name: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE | ||
| HET ID: DTP | PubChem: 15993 | |
| DrugBank: DB03222 | ChEMBL: CHEMBL335538 | |
| Canonical SMILES: O[C@H]1C[C@@H](O[C@@H]1CO[P@](=O)(O[P@@](=O)(OP(=O)(O)O)O)O)n1cnc2c1ncnc2N | ||
| Standard InChI: InChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1 | ||
| Molecular Formula: C10H16N5O12P3 | Mol. Weight: 491.1816 | Heavy Atoms: 30 |
| Charge: 0 | Is Chiral: True | logP: -0.0186 |
| HBD: 6 | HBA: 17 | TPSA: 288.33 |
| #Bonds: 35 | #Rotatable Bonds: 8 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.5 | Ligand Type: Small Molecule | |
Binding Affinity |
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