Ligand |
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| Ligand Name: [[(2~{R},3~{S},4~{R},5~{R})-5-(6-azanyl-2-oxidanylidene-3~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid | ||
| HET ID: NYZ | PubChem: 145925612 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O[C@@H]1[C@@H](CO[P@@](=O)(CP(=O)(O)O)O)O[C@H]([C@@H]1O)n1cnc2c1[nH]c(=O)nc2N | ||
| Standard InChI: InChI=1S/C11H17N5O10P2/c12-8-5-9(15-11(19)14-8)16(2-13-5)10-7(18)6(17)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,17-18H,1,3H2,(H,23,24)(H2,20,21,22)(H3,12,14,15,19)/t4-,6-,7-,10-/m1/s1 | ||
| Molecular Formula: C11H17N5O10P2 | Mol. Weight: 441.2277 | Heavy Atoms: 28 |
| Charge: 0 | Is Chiral: True | logP: -1.7606 |
| HBD: 7 | HBA: 14 | TPSA: 262.96 |
| #Bonds: 35 | #Rotatable Bonds: 6 | Shape Complexity: 0.54545456 |
| Stereocomplexity: 0.45454547 | Ligand Type: Small Molecule | |
Binding Affinity |
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