Ligand |
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| Ligand Name: 6-formyl pterin | ||
| Canonical SMILES: Nc(n1)[nH]c(=O)c(c12)nc(cn2)C=O | ||
| Standard InChI: InChI=1S/C7H5N5O2/c8-7-11-5-4(6(14)12-7)10-3(2-13)1-9-5/h1-2H,(H3,8,9,11,12,14) | ||
| HET Code: 6FP | PubChem: 135409352 | |
| DrugBank: - | ChEMBL: CHEMBL3314206 | |
| Molecular Formula: C7H5N5O2 | Mol. Weight: 191.04433 | logP: -0.8922 |
| HBD: 2 | HBA: 6 | |
| #Rotatable Bonds: 1 | TPSA: 114.62 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Imine Condensation | LYS 43 | A | 13.02 | 5.25 | Aldehyde |  |
Binding Affinity |
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