Ligand

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Ligand Name:   SPERMIDINE
HET ID:   SPD PubChem:   1102
DrugBank:   DB03566 ChEMBL:   CHEMBL19612
Canonical SMILES:   NCCCNCCCCN
Standard InChI:   InChI=1S/C7H19N3/c8-4-1-2-6-10-7-3-5-9/h10H,1-9H2
Molecular Formula:   C7H19N3 Mol. Weight:   145.24586 Heavy Atoms:   10
Charge:   0 Is Chiral:   False logP:   1.4552
HBD:   3 HBA:   3 TPSA:   64.07
#Bonds:   9 #Rotatable Bonds:   7 Shape Complexity:   1.0
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Spermidine/putrescine-binding periplasmic protein P0AFK9 (POTD_ECOLI) Escherichia coli 1POT Kd : 3200.0 nM, Kd : 3200.0 nM Binding MOAD SHOW
Spermidine-binding periplasmic protein SpuE Q9I6J0 (SPUE_PSEAE) Pseudomonas aeruginosa 3TTN Kd : 14.3 nM PDBBind SHOW
Spermidine-binding periplasmic protein SpuE Q9I6J0 (SPUE_PSEAE) Pseudomonas aeruginosa 3TTN Kd : 14.3 nM Binding MOAD SHOW
Putrescine-binding periplasmic protein P31133 (POTF_ECOLI) Escherichia coli 4JDF Kd : 6400000.0 nM PDBBind SHOW
Putrescine-binding periplasmic protein P31133 (POTF_ECOLI) Escherichia coli 4JDF Kd : 6400000.0 nM Binding MOAD SHOW
Spermidine/putrescine-binding periplasmic protein P0AFK9 (POTD_ECOLI) Escherichia coli 1POY Kd : 3200.0 nM Binding MOAD SHOW