Ligand |
||
 | ||
| Ligand Name: 5,6,7,8-TETRAHYDROBIOPTERIN | ||
| HET ID: H4B | PubChem: 135398654 | |
| DrugBank: DB00360 | ChEMBL: CHEMBL1201774 | |
| Canonical SMILES: C[C@@H]([C@@H]([C@H]1CNC2=C(N1)C(=O)NC(=N2)N)O)O | ||
| Standard InChI: InChI=1S/C9H15N5O3/c1-3(15)6(16)4-2-11-7-5(12-4)8(17)14-9(10)13-7/h3-4,6,12,15-16H,2H2,1H3,(H4,10,11,13,14,17)/t3-,4+,6-/m0/s1 | ||
| Molecular Formula: C9H15N5O3 | Mol. Weight: 241.25 | Heavy Atoms: 17 |
| Charge: 0 | Is Chiral: True | logP: -1.8 |
| HBD: 6 | HBA: 7 | TPSA: 132.0 |
| #Bonds: 33 | #Rotatable Bonds: 2 | Shape Complexity: 0.56 |
| Stereocomplexity: 0.33 | Ligand Type: Small Molecule | |
Binding Affinity |
||
- |