Ligand |
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| Ligand Name: (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine | ||
| HET ID: N2Y | PubChem: 10130527 | |
| DrugBank: - | ChEMBL: CHEMBL309804 | |
| Canonical SMILES: N=C1NCCN1Cc1ccc(nc1)Cl | ||
| Standard InChI: InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12) | ||
| Molecular Formula: C9H11ClN4 | Mol. Weight: 210.66344 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: 1.4414 |
| HBD: 2 | HBA: 4 | TPSA: 52.01 |
| #Bonds: 15 | #Rotatable Bonds: 2 | Shape Complexity: 0.33333334 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Kd : 91 nM |