Ligand |
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| Ligand Name: 7N-METHYL-8-HYDROGUANOSINE-5'-DIPHOSPHATE | ||
| HET ID: M7G | PubChem: 135509116, 147071, 5288722 | |
| DrugBank: DB01960 | ChEMBL: CHEMBL1234183 | |
| Canonical SMILES: O[C@@H]1[C@@H](CO[P@@](=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)N1CN(c2c1nc(N)[nH]c2=O)C | ||
| Standard InChI: InChI=1S/C11H19N5O11P2/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(26-10)2-25-29(23,24)27-28(20,21)22/h4,6-7,10,17-18H,2-3H2,1H3,(H,23,24)(H2,20,21,22)(H3,12,13,14,19)/t4-,6-,7-,10-/m1/s1 | ||
| Molecular Formula: C11H19N5O11P2 | Mol. Weight: 459.24298 | Heavy Atoms: 29 |
| Charge: 0 | Is Chiral: True | logP: -2.05 |
| HBD: 7 | HBA: 15 | TPSA: 260.85 |
| #Bonds: 36 | #Rotatable Bonds: 6 | Shape Complexity: 0.6363636 |
| Stereocomplexity: 0.45454547 | Ligand Type: Small Molecule | |
Binding Affinity |
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