Ligand |
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| Ligand Name: 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE | ||
| HET ID: MGP | PubChem: 135419182 | |
| DrugBank: DB02716 | ChEMBL: CHEMBL1234303 | |
| Canonical SMILES: O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(OP(=O)(O)O)O)O)O[C@H]([C@@H]1O)n1c[n+](c2c1nc(N)[nH]c2=O)C | ||
| Standard InChI: InChI=1S/C11H18N5O14P3/c1-15-3-16(8-5(15)9(19)14-11(12)13-8)10-7(18)6(17)4(28-10)2-27-32(23,24)30-33(25,26)29-31(20,21)22/h3-4,6-7,10,17-18H,2H2,1H3,(H6-,12,13,14,19,20,21,22,23,24,25,26)/p+1/t4-,6-,7-,10-/m1/s1 | ||
| Molecular Formula: C11H19N5O14P3+ | Mol. Weight: 538.21497 | Heavy Atoms: 33 |
| Charge: 1 | Is Chiral: True | logP: -2.325 |
| HBD: 8 | HBA: 17 | TPSA: 319.52 |
| #Bonds: 40 | #Rotatable Bonds: 8 | Shape Complexity: 0.54545456 |
| Stereocomplexity: 0.54545456 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Kd : 21000 nM |