Ligand |
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| Ligand Name: N,N,7-trimethylguanosine 5'-(trihydrogen diphosphate) | ||
| HET ID: M7M | PubChem: 137349735 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O[C@@H]1[C@@H](CO[P@@](=O)(OP(=O)(O)O)O)O[C@H]([C@@H]1O)N1CN(c2c1[nH]c(nc2=O)N(C)C)C | ||
| Standard InChI: InChI=1S/C13H23N5O11P2/c1-16(2)13-14-10-7(11(21)15-13)17(3)5-18(10)12-9(20)8(19)6(28-12)4-27-31(25,26)29-30(22,23)24/h6,8-9,12,19-20H,4-5H2,1-3H3,(H,25,26)(H,14,15,21)(H2,22,23,24)/t6-,8-,9-,12-/m1/s1 | ||
| Molecular Formula: C13H23N5O11P2 | Mol. Weight: 487.29614 | Heavy Atoms: 31 |
| Charge: 0 | Is Chiral: True | logP: -2.1474 |
| HBD: 6 | HBA: 15 | TPSA: 238.07 |
| #Bonds: 38 | #Rotatable Bonds: 7 | Shape Complexity: 0.6923077 |
| Stereocomplexity: 0.3846154 | Ligand Type: Small Molecule | |
Binding Affinity |
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