Ligand |
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| Ligand Name: Cov_HetLib030 | ||
| Canonical SMILES: N#Cc1ncccn1 | ||
| Standard InChI: InChI=1S/C5H3N3/c6-4-5-7-2-1-3-8-5/h1-3H | ||
| HET Code: USD | PubChem: 2757979 | |
| DrugBank: - | ChEMBL: CHEMBL3352946 | |
| Molecular Formula: C5H3N3 | Mol. Weight: 105.0327 | logP: 0.34828 |
| HBD: 0 | HBA: 3 | |
| #Rotatable Bonds: 0 | TPSA: 49.57 | |
Covalent Mechanism |
Reaction Name | Residue | Chain ID | SASA | pKa | Warhead Name | Warhead Structure |
| Nucleophilic Addition to a Triple Bond | CYS 145 | A | 23.52 | 13.36 | Nitrile |  |
Binding Affinity |
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