Ligand |
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| Ligand Name: 1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline | ||
| HET ID: OP1 | PubChem: 22842220 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: NC(=N)NCCC[C@H](N1C(=O)CC[C@@H]1C(=O)O)C(=O)O | ||
| Standard InChI: InChI=1S/C11H18N4O5/c12-11(13)14-5-1-2-6(9(17)18)15-7(10(19)20)3-4-8(15)16/h6-7H,1-5H2,(H,17,18)(H,19,20)(H4,12,13,14)/t6-,7+/m0/s1 | ||
| Molecular Formula: C11H18N4O5 | Mol. Weight: 286.28442 | Heavy Atoms: 20 |
| Charge: 0 | Is Chiral: True | logP: -0.0927 |
| HBD: 5 | HBA: 9 | TPSA: 156.81 |
| #Bonds: 22 | #Rotatable Bonds: 8 | Shape Complexity: 0.6363636 |
| Stereocomplexity: 0.18181819 | Ligand Type: Small Molecule | |
Binding Affinity |
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