Ligand |
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| Ligand Name: CYTIDINE-5'-MONOPHOSPHATE | ||
| HET ID: C5P | PubChem: 6131 | |
| DrugBank: DB03403 | ChEMBL: CHEMBL307679 | |
| Canonical SMILES: O[C@@H]1[C@H](O)[C@H](O[C@H]1n1ccc(nc1=O)N)COP(=O)(O)O | ||
| Standard InChI: InChI=1S/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1 | ||
| Molecular Formula: C9H14N3O8P | Mol. Weight: 323.19653 | Heavy Atoms: 21 |
| Charge: 0 | Is Chiral: True | logP: -1.8648 |
| HBD: 5 | HBA: 11 | TPSA: 187.17 |
| #Bonds: 26 | #Rotatable Bonds: 4 | Shape Complexity: 0.5555556 |
| Stereocomplexity: 0.44444445 | Ligand Type: Small Molecule | |
Binding Affinity |
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