LS2

N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE

Created:	2001-11-21
Last modified:	2011-06-04

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1 entries where LS2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	45
Aromatic Bond Count	16

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Chemical Component Summary
Name	N-METHYL-{4-[2-(7-OXO-6,7-DIHYDRO-8H-[1,3]THIAZOLO[5,4-E]INDOL-8-YLIDENE)HYDRAZINO]PHENYL}METHANESULFONAMIDE
Systematic Name (OpenEye OEToolkits)	N-methyl-1-[4-[2-(7-oxo-6H-pyrrolo[5,4-g][1,3]benzothiazol-8-ylidene)hydrazinyl]phenyl]methanesulfonamide
Formula	C₁₇ H₁₅ N₅ O₃ S₂
Molecular Weight	401.463
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(NC)Cc1ccc(cc1)N/N=C2\C(=O)Nc4c2c3scnc3cc4
SMILES	CACTVS	3.341	CN[S](=O)(=O)Cc1ccc(NN=C2C(=O)Nc3ccc4ncsc4c23)cc1
SMILES	OpenEye OEToolkits	1.5.0	CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O
Canonical SMILES	CACTVS	3.341	CN[S](=O)(=O)Cc1ccc(N\N=C2/C(=O)Nc3ccc4ncsc4c23)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CNS(=O)(=O)Cc1ccc(cc1)NN=C2c3c(ccc4c3scn4)NC2=O
InChI	InChI	1.03	InChI=1S/C17H15N5O3S2/c1-18-27(24,25)8-10-2-4-11(5-3-10)21-22-15-14-12(20-17(15)23)6-7-13-16(14)26-9-19-13/h2-7,9,18,21H,8H2,1H3,(H,20,22,23)
InChIKey	InChI	1.03	GEWPSTLKJDIUHW-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

DrugBank ID	DB08123
Name	N-methyl-{4-[2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide
Groups	experimental
Synonyms	N-methyl-{4-[2-(7-oxo-6,7-dihydro-8H-[1,3]thiazolo[5,4-e]indol-8-ylidene)hydrazino]phenyl}methanesulfonamide

Drug Targets

DrugBank data are sourced from datasets licensed under a Creative Common's Attribution-NonCommercial 4.0 International License

Name	Target Sequence	Pharmacological Action	Actions
Cyclin-dependent kinase 2	MENFQKVEKIGEGTYGVVYKARNKLTGEVVALKKIRLDTETEGVPSTAIR...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682