Ligand |
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| Ligand Name: SINEFUNGIN | ||
| HET ID: SFG | PubChem: 65482 | |
| DrugBank: DB01910 | ChEMBL: CHEMBL1214186 | |
| Canonical SMILES: N[C@H](C[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1ncnc2N)CC[C@@H](C(=O)O)N | ||
| Standard InChI: InChI=1S/C15H23N7O5/c16-6(1-2-7(17)15(25)26)3-8-10(23)11(24)14(27-8)22-5-21-9-12(18)19-4-20-13(9)22/h4-8,10-11,14,23-24H,1-3,16-17H2,(H,25,26)(H2,18,19,20)/t6-,7-,8+,10+,11+,14+/m0/s1 | ||
| Molecular Formula: C15H23N7O5 | Mol. Weight: 381.38702 | Heavy Atoms: 27 |
| Charge: 0 | Is Chiral: True | logP: -0.081 |
| HBD: 6 | HBA: 12 | TPSA: 208.65 |
| #Bonds: 35 | #Rotatable Bonds: 7 | Shape Complexity: 0.6 |
| Stereocomplexity: 0.4 | Ligand Type: Small Molecule | |
Binding Affinity |
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