I7A

4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE

Created:	2007-05-02
Last modified:	2011-06-04

Find Related PDB Entry
1 entries where I7A 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	22
Chiral Atom Count	0
Bond Count	22
Aromatic Bond Count	6

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	4,5-DICHLOROBENZENE-1,3-DISULFONAMIDE
Systematic Name (OpenEye OEToolkits)	4,5-dichlorobenzene-1,3-disulfonamide
Formula	C₆ H₆ Cl₂ N₂ O₄ S₂
Molecular Weight	305.159
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	Clc1c(cc(cc1Cl)S(=O)(=O)N)S(=O)(=O)N
SMILES	CACTVS	3.341	N[S](=O)(=O)c1cc(Cl)c(Cl)c(c1)[S](N)(=O)=O
SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N
Canonical SMILES	CACTVS	3.341	N[S](=O)(=O)c1cc(Cl)c(Cl)c(c1)[S](N)(=O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	c1c(cc(c(c1S(=O)(=O)N)Cl)Cl)S(=O)(=O)N
InChI	InChI	1.03	InChI=1S/C6H6Cl2N2O4S2/c7-4-1-3(15(9,11)12)2-5(6(4)8)16(10,13)14/h1-2H,(H2,9,11,12)(H2,10,13,14)
InChIKey	InChI	1.03	GJQPMPFPNINLKP-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB01144
Name	Diclofenamide
Groups	investigational approved
Description	A carbonic anhydrase inhibitor that is used in the treatment of glaucoma.
Synonyms	Dichlorphenamide 1,3-disulfamoyl-4,5-dichlorobenzene 4,5-dichloro-1,3-benzenedisulfonamide 4,5-dichloro-benzene-1,3-disulfonic acid diamide Dichlorophenamide Diclofenamidum 1,3-disulfamyl-4,5-dichlorobenzene Dichlofenamide 4,5-dichloro-m-benzenedisulfonamide 4,5-dichloro-1,3-disulfamoylbenzene 4,5-dichlorobenzene-1,3-disulfonamide Diclofenamide Diclofenamida 3,4-dichloro-5-sulfamylbenzenesulfonamide
Brand Names	Ormalvi Keveyis Daranide Dichlorphenamide
Indication	For adjunctive treatment of: chronic simple (open-angle) glaucoma, secondary glaucoma, and preoperatively in acute angle-closure glaucoma where delay of surgery is desired in order to lower intraocular pressure
Categories	Amides Antiglaucoma Preparations and Miotics Carbonic Anhydrase Inhibitors Diuretics Enzyme Inhibitors Genito Urinary System and Sex Hormones Gynecological Antiinfectives and Antiseptics Hypotensive Agents Ophthalmics Ophthalmologicals Sensory Organs Sulfonamides Sulfones Sulfur Compounds
ATC-Code	G01AE10 S01EC02
CAS number	120-97-8

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Carbonic anhydrase 2	MSHHWGYGKHNGPEHWHKDFPIAKGERQSPVDIDTHTAKYDPSLKPLSVS...	unknown	inhibitor
Carbonic anhydrase 1	MASPDWGYDDKNGPEQWSKLYPIANGNNQSPVDIKTSETKHDTSLKPISV...	unknown	inhibitor
Carbonic anhydrase 4	MRMLLALLALSAARPSASAESHWCYEVQAESSNYPCLVPVKWGGNCQKDR...	unknown	inhibitor
Carbonic anhydrase 7	MTGHHGWGYGQDDGPSHWHKLYPIAQGDRQSPINIISSQAVYSPSLQPLE...	unknown	inhibitor
Carbonic anhydrase 3	MAKEWGYASHNGPDHWHELFPNAKGENQSPVELHTKDIRHDPSLQPWSVS...	unknown	inhibitor

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