Ligand |
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| Ligand Name: ADENOSINE MONOPHOSPHATE | ||
| HET ID: AMP | PubChem: 6083 | |
| DrugBank: DB00131 | ChEMBL: CHEMBL752 | |
| Canonical SMILES: O[C@@H]1[C@H](O)[C@H](O[C@H]1n1cnc2c1ncnc2N)COP(=O)(O)O | ||
| Standard InChI: InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | ||
| Molecular Formula: C10H14N5O7P | Mol. Weight: 347.22122 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: True | logP: -1.2818 |
| HBD: 5 | HBA: 12 | TPSA: 195.88 |
| #Bonds: 29 | #Rotatable Bonds: 4 | Shape Complexity: 0.5 |
| Stereocomplexity: 0.4 | Ligand Type: Small Molecule | |
Binding Affinity |
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