Ligand |
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| Ligand Name: N,N′-dicyclohexylcarbodiimide | ||
| Canonical SMILES: C1CCCCC1N=C=NC2CCCCC2 | ||
| Standard InChI: InChI=1S/C13H22N2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13/h12-13H,1-10H2 | ||
| HET Code: DCW | PubChem: 10868 | |
| DrugBank: - | ChEMBL: CHEMBL162598 | |
| Molecular Formula: C13H22N2 | Mol. Weight: 206.1783 | logP: 3.8257 |
| HBD: 0 | HBA: 2 | |
| #Rotatable Bonds: 2 | TPSA: 24.72 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Addition to a Double Bond | GLU 62 | A | 10.71 | 8.81 | Carbodiimide |  |
Binding Affinity |
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