Ligand |
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| Ligand Name: GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE | ||
| HET ID: GFB | PubChem: 10918995, 135398655 | |
| DrugBank: - | ChEMBL: CHEMBL1229250 | |
| Canonical SMILES: O[C@@H]1[C@@H](CO[P@](=O)(O[P@](=O)(O[C@H]2O[C@@H](C)[C@H]([C@H]([C@@H]2O)O)O)O)O)O[C@H]([C@@H]1O)n1cnc2c1nc(N)[nH]c2=O | ||
| Standard InChI: InChI=1S/C16H25N5O15P2/c1-4-7(22)9(24)11(26)15(33-4)35-38(30,31)36-37(28,29)32-2-5-8(23)10(25)14(34-5)21-3-18-6-12(21)19-16(17)20-13(6)27/h3-5,7-11,14-15,22-26H,2H2,1H3,(H,28,29)(H,30,31)(H3,17,19,20,27)/t4-,5+,7+,8+,9+,10+,11-,14+,15+/m0/s1 | ||
| Molecular Formula: C16H25N5O15P2 | Mol. Weight: 589.34174 | Heavy Atoms: 38 |
| Charge: 0 | Is Chiral: True | logP: -3.0197 |
| HBD: 9 | HBA: 19 | TPSA: 331.11 |
| #Bonds: 51 | #Rotatable Bonds: 8 | Shape Complexity: 0.6875 |
| Stereocomplexity: 0.6875 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Kd : 35000 nM |