Ligand |
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| Ligand Name: GUANINE | ||
| HET ID: GUN | PubChem: 135398634, 764, 5274253 | |
| DrugBank: DB02377 | ChEMBL: CHEMBL219568 | |
| Canonical SMILES: Nc1[nH]c(=O)c2c(n1)[nH]cn2 | ||
| Standard InChI: InChI=1S/C5H5N5O/c6-5-9-3-2(4(11)10-5)7-1-8-3/h1H,(H4,6,7,8,9,10,11) | ||
| Molecular Formula: C5H5N5O | Mol. Weight: 151.1261 | Heavy Atoms: 11 |
| Charge: 0 | Is Chiral: False | logP: -0.1904 |
| HBD: 3 | HBA: 4 | TPSA: 100.45 |
| #Bonds: 14 | #Rotatable Bonds: 0 | Shape Complexity: 0.0 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Kd : 110 nM |