Ligand

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Ligand Name:   1-[(2-chloro-1,3-thiazol-5-yl)methyl]-3-methyl-2-nitroguanidine
HET ID:   CT4 PubChem:   213027, 135529435, 135779804, 86287519
DrugBank:   - ChEMBL:   CHEMBL259727
Canonical SMILES:   [O-][N+](=O)/N=C(NC)/NCc1cnc(s1)Cl
Standard InChI:   InChI=1S/C6H8ClN5O2S/c1-8-6(11-12(13)14)10-3-4-2-9-5(7)15-4/h2H,3H2,1H3,(H2,8,10,11)
Molecular Formula:   C6H8ClN5O2S Mol. Weight:   249.67802 Heavy Atoms:   15
Charge:   0 Is Chiral:   False logP:   1.9582
HBD:   2 HBA:   5 TPSA:   123.37
#Bonds:   15 #Rotatable Bonds:   5 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 2ZJV Kd : 7260.0 nM PDBBind SHOW