LS1

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

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

Find Related PDB Entry
1 entries where LS1 is found as a standalone ligand

Help Find related ligands:
Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Help

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	0
Bond Count	40
Aromatic Bond Count	12

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-METHYL-4-{[(2-OXO-1,2-DIHYDRO-3H-INDOL-3-YLIDENE)METHYL]AMINO}BENZENESULFONAMIDE
Systematic Name (OpenEye OEToolkits)	N-methyl-4-[[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]amino]benzenesulfonamide
Formula	C₁₆ H₁₅ N₃ O₃ S
Molecular Weight	329.374
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=S(=O)(NC)c1ccc(cc1)N/C=C3/c2ccccc2NC3=O
SMILES	CACTVS	3.341	CN[S](=O)(=O)c1ccc(NC=C2C(=O)Nc3ccccc23)cc1
SMILES	OpenEye OEToolkits	1.5.0	CNS(=O)(=O)c1ccc(cc1)NC=C2c3ccccc3NC2=O
Canonical SMILES	CACTVS	3.341	CN[S](=O)(=O)c1ccc(N\C=C2/C(=O)Nc3ccccc23)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	CNS(=O)(=O)c1ccc(cc1)N\C=C/2\c3ccccc3NC2=O
InChI	InChI	1.03	InChI=1S/C16H15N3O3S/c1-17-23(21,22)12-8-6-11(7-9-12)18-10-14-13-4-2-3-5-15(13)19-16(14)20/h2-10,17-18H,1H3,(H,19,20)/b14-10-
InChIKey	InChI	1.03	IKASAFLVQIJQOK-UVTDQMKNSA-N

Drug Info: DrugBank

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

DrugBank ID	DB08122
Name	N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}benzenesulfonamide
Groups	experimental
Synonyms	N-Methyl-4-{[(2-oxo-1,2-dihydro-3H-indol-3-ylidene)methyl]amino}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