Ligand

Download

Ligand Name:   ALPHA-DIFLUOROMETHYLORNITHINE
HET ID:   DMO PubChem:   550880
DrugBank:   DB03856 ChEMBL:   CHEMBL222838
Canonical SMILES:   NCCCC(N)C
Standard InChI:   InChI=1S/C5H14N2/c1-5(7)3-2-4-6/h5H,2-4,6-7H2,1H3
Molecular Formula:   C5H14N2 Mol. Weight:   102.17806 Heavy Atoms:   7
Charge:   0 Is Chiral:   True logP:   1.4731
HBD:   2 HBA:   2 TPSA:   52.04
#Bonds:   6 #Rotatable Bonds:   3 Shape Complexity:   1.0
Stereocomplexity:   0.2
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Arginase-1 P05089 (ARGI1_HUMAN) Homo sapiens 3GN0 Ki : 3900000.0 nM Binding MOAD SHOW