Ligand

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Ligand Name:   (2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine
HET ID:   IM4 PubChem:   135541675
DrugBank:   DB07980 ChEMBL:   CHEMBL406819
Canonical SMILES:   [O-][N+](=O)/N=C/1NCCN1Cc1ccc(nc1)Cl
Standard InChI:   InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13)
Molecular Formula:   C9H10ClN5O2 Mol. Weight:   255.661 Heavy Atoms:   17
Charge:   0 Is Chiral:   False logP:   1.4778
HBD:   1 HBA:   4 TPSA:   86.34
#Bonds:   18 #Rotatable Bonds:   3 Shape Complexity:   0.33333334
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Acetylcholine-binding protein P58154 (ACHP_LYMST) Lymnaea stagnalis 2ZJU
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