Ligand |
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| Ligand Name: (2~{R})-2-[[(3~{R},4~{R},5~{S})-3,4,5,6-tetrakis(oxidanyl)-2-oxidanylidene-hexyl]amino]pentanedioic acid | ||
| HET ID: N72 | PubChem: 145829197 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OC[C@@H]([C@H]([C@H](C(=O)CN[C@@H](C(=O)O)CCC(=O)O)O)O)O | ||
| Standard InChI: InChI=1S/C11H19NO9/c13-4-7(15)10(19)9(18)6(14)3-12-5(11(20)21)1-2-8(16)17/h5,7,9-10,12-13,15,18-19H,1-4H2,(H,16,17)(H,20,21)/t5-,7+,9+,10-/m1/s1 | ||
| Molecular Formula: C11H19NO9 | Mol. Weight: 309.26987 | Heavy Atoms: 21 |
| Charge: 0 | Is Chiral: True | logP: -3.071 |
| HBD: 7 | HBA: 10 | TPSA: 184.62 |
| #Bonds: 24 | #Rotatable Bonds: 11 | Shape Complexity: 0.72727275 |
| Stereocomplexity: 0.36363637 | Ligand Type: Small Molecule | |
Binding Affinity |
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