TMJ

N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE

Created:	2007-01-26
Last modified:	2021-03-13

Find Related PDB Entry
2 entries where TMJ 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	36
Chiral Atom Count	0
Bond Count	38
Aromatic Bond Count	12

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
Synonyms	7-(N-4-CHLOROPHENYL-AMINSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
Systematic Name (OpenEye OEToolkits)	N-(4-chlorophenyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
Formula	C₁₅ H₁₅ Cl N₂ O₂ S
Molecular Weight	322.81
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNCC3
SMILES	CACTVS	3.341	Clc1ccc(N[S](=O)(=O)c2ccc3CCNCc3c2)cc1
SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNCC3)Cl
Canonical SMILES	CACTVS	3.341	Clc1ccc(N[S](=O)(=O)c2ccc3CCNCc3c2)cc1
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1cc(ccc1NS(=O)(=O)c2ccc3c(c2)CNCC3)Cl
InChI	InChI	1.03	InChI=1S/C15H15ClN2O2S/c16-13-2-4-14(5-3-13)18-21(19,20)15-6-1-11-7-8-17-10-12(11)9-15/h1-6,9,17-18H,7-8,10H2
InChIKey	InChI	1.03	UVSIFVBCHJEYJP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB08631
Name	N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
Groups	experimental
Synonyms	N-(4-CHLOROPHENYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Phenylethanolamine N-methyltransferase	MSGADRSPNAGAAPDSAPGQAAVASAYQRFEPRAYLRNNYAPPRGDLCNP...	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