Ligand |
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| Ligand Name: N,N'-BIS(2,3-BUTADIENYL)-1,4-BUTANE-DIAMINE | ||
| HET ID: MD2 | PubChem: 4026 | |
| DrugBank: DB04188 | ChEMBL: CHEMBL417844 | |
| Canonical SMILES: C=C=CCNCCCCNCC=C=C | ||
| Standard InChI: InChI=1S/C12H20N2/c1-3-5-9-13-11-7-8-12-14-10-6-4-2/h5-6,13-14H,1-2,7-12H2 | ||
| Molecular Formula: C12H20N2 | Mol. Weight: 192.3006 | Heavy Atoms: 14 |
| Charge: 0 | Is Chiral: False | logP: 2.4098 |
| HBD: 2 | HBA: 2 | TPSA: 24.06 |
| #Bonds: 13 | #Rotatable Bonds: 9 | Shape Complexity: 0.6 |
| Stereocomplexity: 0.0 | Ligand Type: Small Molecule | |
Binding Affinity |
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| Database Name | Value |
| Binding MOAD | Ki : 550 nM |