Ligand |
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| Ligand Name: 6-HYDROXYMETHYLPTERIN-DIPHOSPHATE | ||
| HET ID: HH2 | PubChem: 135440058 | |
| DrugBank: DB04047 | ChEMBL: CHEMBL1233314 | |
| Canonical SMILES: Nc1nc2ncc(nc2c(=O)[nH]1)CO[P@@](=O)(OP(=O)(O)O)O | ||
| Standard InChI: InChI=1S/C7H9N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1H,2H2,(H,17,18)(H2,14,15,16)(H3,8,9,11,12,13) | ||
| Molecular Formula: C7H9N5O8P2 | Mol. Weight: 353.1226 | Heavy Atoms: 22 |
| Charge: 0 | Is Chiral: False | logP: -0.3972 |
| HBD: 5 | HBA: 12 | TPSA: 230.46 |
| #Bonds: 24 | #Rotatable Bonds: 5 | Shape Complexity: 0.14285715 |
| Stereocomplexity: 0.14285715 | Ligand Type: Small Molecule | |
Binding Affinity |
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