LZU

10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine

Created:	2012-11-27
Last modified:	2020-06-05

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2 entries where LZU is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	51
Chiral Atom Count	1
Bond Count	54
Aromatic Bond Count	12

2D diagram of LZU

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Chemical Component Summary
Name	10-{2-[(2S)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine
Synonyms	Thioridazine
Systematic Name (OpenEye OEToolkits)	10-[2-[(2S)-1-methylpiperidin-2-yl]ethyl]-2-methylsulfanyl-phenothiazine
Formula	C₂₁ H₂₆ N₂ S₂
Molecular Weight	370.575
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	S(c2cc1N(c3c(Sc1cc2)cccc3)CCC4N(C)CCCC4)C
SMILES	CACTVS	3.370	CSc1ccc2Sc3ccccc3N(CC[CH]4CCCCN4C)c2c1
SMILES	OpenEye OEToolkits	1.7.6	CN1CCCCC1CCN2c3ccccc3Sc4c2cc(cc4)SC
Canonical SMILES	CACTVS	3.370	CSc1ccc2Sc3ccccc3N(CC[C@@H]4CCCCN4C)c2c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	CN1CCCC[C@H]1CCN2c3ccccc3Sc4c2cc(cc4)SC
InChI	InChI	1.03	InChI=1S/C21H26N2S2/c1-22-13-6-5-7-16(22)12-14-23-18-8-3-4-9-20(18)25-21-11-10-17(24-2)15-19(21)23/h3-4,8-11,15-16H,5-7,12-14H2,1-2H3/t16-/m0/s1
InChIKey	InChI	1.03	KLBQZWRITKRQQV-INIZCTEOSA-N

Related Resource References

Resource Name	Reference
PubChem	12444300
ChEMBL	CHEMBL3133835
CCDC/CSD	TORDAZ

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.