Ligand |
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| Ligand Name: 2-{1-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-2-yl}thieno[3,2-b]pyridine-7-carboxylic acid | ||
| HET ID: H61 | PubChem: 133053887 | |
| DrugBank: - | ChEMBL: - | |
| Canonical SMILES: OC(=O)c1ccnc2c1sc(c2)c1nc2c(n1CCN1CCCCC1)cccc2 | ||
| Standard InChI: InChI=1S/C22H22N4O2S/c27-22(28)15-8-9-23-17-14-19(29-20(15)17)21-24-16-6-2-3-7-18(16)26(21)13-12-25-10-4-1-5-11-25/h2-3,6-9,14H,1,4-5,10-13H2,(H,27,28) | ||
| Molecular Formula: C22H22N4O2S | Mol. Weight: 406.50067 | Heavy Atoms: 29 |
| Charge: 0 | Is Chiral: False | logP: 4.435 |
| HBD: 1 | HBA: 7 | TPSA: 99.49 |
| #Bonds: 33 | #Rotatable Bonds: 5 | Shape Complexity: 0.3181818 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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