Ligand Download |
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Ligand Name: 3-bromo-5-[(4-pyrrolidin-1-ylpiperidin-1-yl)carbonyl]pyridine | ||
HET ID: P8H | PubChem: 46931242 | |
DrugBank: - | ChEMBL: CHEMBL1235119 | |
Canonical SMILES: Brc1cncc(c1)C(=O)N1CCC(CC1)N1CCCC1 | ||
Standard InChI: InChI=1S/C15H20BrN3O/c16-13-9-12(10-17-11-13)15(20)19-7-3-14(4-8-19)18-5-1-2-6-18/h9-11,14H,1-8H2 | ||
Molecular Formula: C15H20BrN3O | Mol. Weight: 338.2428 | Heavy Atoms: 20 |
Charge: 0 | Is Chiral: False | logP: 2.4203 |
HBD: 0 | HBA: 4 | TPSA: 36.44 |
#Bonds: 22 | #Rotatable Bonds: 3 | Shape Complexity: 0.6 |
Stereocomplexity: 0.0 |
Bound Proteins |
Protein Name | Uniprot ID/ACC | Organism | PDB ID | Binding Affinity | Binding Database | Complex Card |
Lethal(3)malignant brain tumor-like protein 1 | Q9Y468 (LMBL1_HUMAN) | Homo sapiens | 3P8H | Kd : 5000.0 nM | PDBBind | SHOW |
Lethal(3)malignant brain tumor-like protein 1 | Q9Y468 (LMBL1_HUMAN) | Homo sapiens | 3P8H | IC50 : 21000.0 nM | BindingDB | SHOW |