Ligand |
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| Ligand Name: 6-HYDROXYMETHYLPTERIN | ||
| HET ID: HHR | PubChem: 135415975 | |
| DrugBank: DB03197 | ChEMBL: CHEMBL101541 | |
| Canonical SMILES: OCc1cnc2c(n1)c(=O)[nH]c(n2)N | ||
| Standard InChI: InChI=1S/C7H7N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1,13H,2H2,(H3,8,9,11,12,14) | ||
| Molecular Formula: C7H7N5O2 | Mol. Weight: 193.16278 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: -0.6312 |
| HBD: 3 | HBA: 6 | TPSA: 117.78 |
| #Bonds: 16 | #Rotatable Bonds: 1 | Shape Complexity: 0.14285715 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Kd : 1100 nM |