LS4

4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE

Created:	2001-11-19
Last modified:	2011-06-04

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1 entries where LS4 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	44
Aromatic Bond Count	17

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Chemical Component Summary
Name	4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}-N-(1,3-THIAZOL-2-YL)BENZENESULFONAMIDE
Systematic Name (OpenEye OEToolkits)	4-[[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]amino]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Formula	C₁₈ H₁₄ N₄ O₃ S₂
Molecular Weight	398.459
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(Nc1nccs1)c4ccc(N/C=C3/c2ccccc2NC3=O)cc4
SMILES	CACTVS	3.341	O=C1Nc2ccccc2C1=CNc3ccc(cc3)[S](=O)(=O)Nc4sccn4
SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)C(=CNc3ccc(cc3)S(=O)(=O)Nc4nccs4)C(=O)N2
Canonical SMILES	CACTVS	3.341	O=C\1Nc2ccccc2C\1=C/Nc3ccc(cc3)[S](=O)(=O)Nc4sccn4
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1ccc2c(c1)/C(=C/Nc3ccc(cc3)S(=O)(=O)Nc4nccs4)/C(=O)N2
InChI	InChI	1.03	InChI=1S/C18H14N4O3S2/c23-17-15(14-3-1-2-4-16(14)21-17)11-20-12-5-7-13(8-6-12)27(24,25)22-18-19-9-10-26-18/h1-11,20H,(H,19,22)(H,21,23)/b15-11-
InChIKey	InChI	1.03	BOMPRXSVSIPRDT-PTNGSMBKSA-N

Drug Info: DrugBank

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

DrugBank ID	DB08125
Name	4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide
Groups	experimental
Synonyms	4-{[(2-Oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}-N-(1,3-thiazol-2-yl)benzenesulfonamide

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