Ligand |
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| Ligand Name: (E)-5-(2-BROMOVINYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE | ||
| HET ID: BVP | PubChem: 6505368 | |
| DrugBank: DB04438 | ChEMBL: CHEMBL1231519 | |
| Canonical SMILES: Br/C=C/c1cn([C@H]2C[C@@H]([C@H](O2)COP(=O)(O)O)O)c(=O)[nH]c1=O | ||
| Standard InChI: InChI=1S/C11H14BrN2O8P/c12-2-1-6-4-14(11(17)13-10(6)16)9-3-7(15)8(22-9)5-21-23(18,19)20/h1-2,4,7-9,15H,3,5H2,(H,13,16,17)(H2,18,19,20)/b2-1+/t7-,8+,9+/m0/s1 | ||
| Molecular Formula: C11H14BrN2O8P | Mol. Weight: 413.11523 | Heavy Atoms: 23 |
| Charge: 0 | Is Chiral: True | logP: -0.3401 |
| HBD: 4 | HBA: 9 | TPSA: 160.89 |
| #Bonds: 28 | #Rotatable Bonds: 5 | Shape Complexity: 0.45454547 |
| Stereocomplexity: 0.27272728 | Ligand Type: Small Molecule | |
Binding Affinity |
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