Ligand

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Ligand Name:   N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide
HET ID:   SP5 PubChem:   916
DrugBank:   - ChEMBL:   CHEMBL131004
Canonical SMILES:   NCCCNCCCCNCCCNC(=O)C
Standard InChI:   InChI=1S/C12H28N4O/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13/h14-15H,2-11,13H2,1H3,(H,16,17)
Molecular Formula:   C12H28N4O Mol. Weight:   244.37692 Heavy Atoms:   17
Charge:   0 Is Chiral:   False logP:   1.6938
HBD:   4 HBA:   5 TPSA:   79.18
#Bonds:   16 #Rotatable Bonds:   13 Shape Complexity:   0.9166667
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Acetylpolyamine amidohydrolase Q48935 (APAH_MYCRA) Mycoplana ramosa 3Q9E
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