Ligand |
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| Ligand Name: N-[2-({[(5-chlorothiophen-2-yl)carbonyl]amino}methyl)phenyl]-5-methyl-4,5,6,7-tetrahydro[1,3]thiazolo[5,4-c]pyridine-2-carboxamide | ||
| HET ID: D46 | PubChem: 24936173 | |
| DrugBank: - | ChEMBL: CHEMBL1681798 | |
| Canonical SMILES: CN1CCc2c(C1)sc(n2)C(=O)Nc1ccccc1CNC(=O)c1ccc(s1)Cl | ||
| Standard InChI: InChI=1S/C20H19ClN4O2S2/c1-25-9-8-14-16(11-25)29-20(24-14)19(27)23-13-5-3-2-4-12(13)10-22-18(26)15-6-7-17(21)28-15/h2-7H,8-11H2,1H3,(H,22,26)(H,23,27) | ||
| Molecular Formula: C20H19ClN4O2S2 | Mol. Weight: 446.97345 | Heavy Atoms: 29 |
| Charge: 0 | Is Chiral: False | logP: 4.43 |
| HBD: 2 | HBA: 8 | TPSA: 130.81 |
| #Bonds: 32 | #Rotatable Bonds: 7 | Shape Complexity: 0.25 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| BindingDB | IC50 : 1.7000000476837158 nM |