Ligand

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Ligand Name:   (2Z)-1-[(6-chloropyridin-3-yl)methyl]imidazolidin-2-imine
HET ID:   N2Y PubChem:   10130527
DrugBank:   - ChEMBL:   CHEMBL309804
Canonical SMILES:   N=C1NCCN1Cc1ccc(nc1)Cl
Standard InChI:   InChI=1S/C9H11ClN4/c10-8-2-1-7(5-13-8)6-14-4-3-12-9(14)11/h1-2,5H,3-4,6H2,(H2,11,12)
Molecular Formula:   C9H11ClN4 Mol. Weight:   210.66344 Heavy Atoms:   14
Charge:   0 Is Chiral:   False logP:   1.4414
HBD:   2 HBA:   4 TPSA:   52.01
#Bonds:   15 #Rotatable Bonds:   2 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 3WTO Kd : 119.0 nM, Kd : 119.0 nM Binding MOAD SHOW
Acetylcholine-binding protein P58154 (ACHP_LYMST) Lymnaea stagnalis 3WTN Kd : 91.0 nM Binding MOAD SHOW