Ligand

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Ligand Name:   4-(AMINOCARBONYL)-1-[({2-[(E)-(HYDROXYIMINO)METHYL]PYRIDINIUM-1-YL}METHOXY)METHYL]PYRIDINIUM
HET ID:   HI6 PubChem:   135590423
DrugBank:   - ChEMBL:   CHEMBL385181
Canonical SMILES:   O/N=C/c1cccc[n+]1COC[n+]1ccc(cc1)C(=O)N
Standard InChI:   InChI=1S/C14H14N4O3/c15-14(19)12-4-7-17(8-5-12)10-21-11-18-6-2-1-3-13(18)9-16-20/h1-9H,10-11H2,(H-,15,19)/p+2
Molecular Formula:   C14H16N4O3++ Mol. Weight:   288.30185 Heavy Atoms:   21
Charge:   2 Is Chiral:   False logP:   0.5007
HBD:   2 HBA:   5 TPSA:   92.67
#Bonds:   22 #Rotatable Bonds:   6 Shape Complexity:   0.14285715
Stereocomplexity:   0.0
Bound Proteins
Protein Name Uniprot ID/ACC Organism PDB ID Binding Affinity Binding Database Complex Card
Acetylcholinesterase P22303 (ACES_HUMAN) Homo sapiens 6NTM
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SHOW
Acetylcholinesterase P22303 (ACES_HUMAN) Homo sapiens 6NTN
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SHOW
Acetylcholinesterase P22303 (ACES_HUMAN) Homo sapiens 6NTG
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SHOW