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
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Polyamine oxidase 1 O64411 (PAO1_MAIZE) Zea mays 1B5Q Ki : 550.0 nM Binding MOAD SHOW