Ligand

Download

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