Ligand |
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| Ligand Name: N-{[(3R)-1-benzylpiperidin-3-yl]methyl}naphthalene-2-sulfonamide | ||
| HET ID: 5HH | PubChem: 123133732 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: O=S(=O)(c1ccc2c(c1)cccc2)NC[C@@H]1CCCN(C1)Cc1ccccc1 | ||
| Standard InChI: InChI=1S/C23H26N2O2S/c26-28(27,23-13-12-21-10-4-5-11-22(21)15-23)24-16-20-9-6-14-25(18-20)17-19-7-2-1-3-8-19/h1-5,7-8,10-13,15,20,24H,6,9,14,16-18H2/t20-/m0/s1 | ||
| Molecular Formula: C23H26N2O2S | Mol. Weight: 394.52975 | Heavy Atoms: 28 |
| Charge: 0 | Is Chiral: True | logP: 5.4399 |
| HBD: 1 | HBA: 4 | TPSA: 57.79 |
| #Bonds: 32 | #Rotatable Bonds: 6 | Shape Complexity: 0.3043478 |
| Stereocomplexity: 0.04347826 | Ligand Type: Small Molecule | |
Binding Affinity |
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