Target Information

Target General Information

Top

Target ID

T43920 (Former ID: TTDS00304)

Target Name

Carbonic anhydrase (CA)

Synonyms

Carbonate dehydratase

Click to Show/Hide

Gene Name

NO-GeName

Target Type

Successful target

[1]

Disease

[+] 3 Target-related Diseases

Bacterial infection [ICD-11: 1A00-1C4Z]

Hypertension [ICD-11: BA00-BA04]

Seborrhoeic dermatitis [ICD-11: EA81]

UniProt ID

NOUNIPROTAC

Drugs and Modes of Action

Top

Approved Drug(s)

[+] 3 Approved Drugs

Quinethazone

Drug Info

Approved

Hypertension

[2], [3], [4]

Salicyclic acid

Drug Info

Approved

Seborrhoeic dermatitis

[4], [5], [6]

Sulfamylon

Drug Info

Approved

Bacterial infection

[4], [7]

Clinical Trial Drug(s)

[+] 3 Clinical Trial Drugs

Curcumin

Drug Info

Phase 3

Solid tumour/cancer

[8], [9]

Phentermine+topiramate

Drug Info

Phase 3

Obesity

[10]

Coumate

Drug Info

Phase 2

Breast cancer

[11]

Patented Agent(s)

[+] 2 Patented Agents

Imatinib and nilotinib derivative 1

Drug Info

Patented

Cas mediated disorder

[12]

Imatinib and nilotinib derivative 2

Drug Info

Patented

Cas mediated disorder

[12]

Mode of Action

[+] 1 Modes of Action

Inhibitor

[+] 123 Inhibitor drugs

Quinethazone

Drug Info

[1]

Salicyclic acid

Drug Info

[13]

Sulfamylon

Drug Info

[14]

Curcumin

Drug Info

[15]

PARABEN

Drug Info

[16]

Phentermine+topiramate

Drug Info

[17]

PHENOL

Drug Info

[15]

Coumate

Drug Info

[18]

SULFAMIDE

Drug Info

[19]

FERULIC ACID

Drug Info

[16]

Imatinib and nilotinib derivative 1

Drug Info

[12]

Imatinib and nilotinib derivative 2

Drug Info

[12]

PMID30074415-Compound-19

Drug Info

[12]

PMID30074415-Compound-20

Drug Info

[12]

PMID30074415-Compound-21

Drug Info

[12]

CLIOQUINOL

Drug Info

[13]

SPERMINE

Drug Info

[20]

(2-bromophenyl)difluoromethanesulfonamide

Drug Info

[21]

(4-bromophenyl)difluoromethanesulfonamide

Drug Info

[21]

1-(3,4-dichlorophenyl)-3-hydroxyurea

Drug Info

[22]

2,3-dihydro-1H-indene-5-sulfonamide

Drug Info

[23]

2,4-Disulfamyltrifluoromethylaniline

Drug Info

[14]

2,5-difluorophenol

Drug Info

[24]

2-acetamido-2,3-dihydro-1H-indene-5-sulfonic acid

Drug Info

[23]

2-amino-2,3-dihydro-1H-indene-5-sulfonamide

Drug Info

[23]

2-Amino-benzenesulfonamide

Drug Info

[14]

2-Amino-indan-5-sulfonic acid

Drug Info

[23]

2-hydrazinylbenzenesulfonamide

Drug Info

[14]

2-oxo-2H-chromene-3-carboxylic acid

Drug Info

[25]

2-oxo-2H-thiochromene-3-carboxylic acid

Drug Info

[25]

2-Sulfhydryl-Ethanol

Drug Info

[26]

3,5-difluorophenol

Drug Info

[13]

3-(4-sulfamoylphenyl)propanoic acid

Drug Info

[27]

3-Amino-benzenesulfonamide

Drug Info

[28]

3-bromophenyl-difluoromethanesulfonamide

Drug Info

[21]

3-Nitro-benzenesulfonamide

Drug Info

[29]

4-(2-AMINOETHYL)BENZENESULFONAMIDE

Drug Info

[30]

4-(2-aminopyrimidin-4-ylamino)benzenesulfonamide

Drug Info

[14]

4-(2-Hydroxy-ethyl)-benzenesulfonamide

Drug Info

[14]

4-(2-Phenylacetamido)-3-bromobenzenesulfonamide

Drug Info

[31]

4-(2-Phenylacetamido)-3-chlorobenzenesulfonamide

Drug Info

[31]

4-(2-Phenylacetamido)-3-fluorobenzenesulfonamide

Drug Info

[31]

4-(2-Phenylacetamido)benzenesulfonamide

Drug Info

[31]

4-(2-Phenylacetamidoethyl)benzenesulfonamide

Drug Info

[31]

4-(2-Phenylacetamidomethyl)benzenesulfonamide

Drug Info

[31]

4-(2-Pyridin-2-ylacetamido)benzenesulfonamide

Drug Info

[31]

4-(2-Pyridin-4-ylacetamido)benzenesulfonamide

Drug Info

[31]

4-(hydroxymethyl)benzenesulfonamide

Drug Info

[14]

4-amino-3,5-dibromobenzenesulfonamide

Drug Info

[32]

4-Amino-3-bromo-benzenesulfonamide

Drug Info

[14]

4-Amino-3-chloro-benzenesulfonamide

Drug Info

[14]

4-amino-3-fluoro-5-iodobenzenesulfonamide

Drug Info

[32]

4-Amino-3-fluoro-benzenesulfonamide

Drug Info

[14]

4-Amino-3-iodo-benzenesulfonamide

Drug Info

[14]

4-amino-6-chlorobenzene-1,3-disulfonamide

Drug Info

[14]

4-amino-N-(4-sulfamoylbenzyl)benzenesulfonamide

Drug Info

[14]

4-AMINOPHENOL

Drug Info

[24]

4-azidobenzenesulfonamide

Drug Info

[33]

4-bromophenylboronic acid

Drug Info

[34]

4-butylphenylboronic acid

Drug Info

[34]

4-CYANOPHENOL

Drug Info

[24]

4-Hydrazino-benzenesulfonamide

Drug Info

[14]

4-methoxyphenylboronic acid

Drug Info

[34]

4-methylphenyl-difluoromethanesulfonamide

Drug Info

[21]

4-Nitro-benzenesulfonamide

Drug Info

[29]

4-nitrophenyl phosphate

Drug Info

[35]

4-nitrophenyl-difluoromethanesulfonamide

Drug Info

[21]

4-phenoxyphenylboronic acid

Drug Info

[34]

4-Thiocyanato-benzenesulfonamide

Drug Info

[29]

4-[2-(2-Thienyl)acetamidoethyl]benzenesulfonamide

Drug Info

[31]

4-[2-(2-Thienyl)acetamido]benzenesulfonamide

Drug Info

[31]

6-(aminomethyl)-2H-chromen-2-one

Drug Info

[25]

6-(hydroxymethyl)-2H-chromen-2-one

Drug Info

[25]

6-Hydroxy-benzothiazole-2-sulfonic acid amide

Drug Info

[14]

6-methoxy-2-oxo-2H-chromene-3-carboxylic acid

Drug Info

[25]

6-methyl-2-oxo-2H-chromene-3-carboxylic acid

Drug Info

[25]

7-(benzyloxy)-2H-chromen-2-one

Drug Info

[25]

7-butoxy-2H-chromen-2-one

Drug Info

[25]

7-methoxy-2-oxo-2H-chromene-4-carboxylic acid

Drug Info

[25]

7-phenethoxy-2H-chromen-2-one

Drug Info

[25]

7-propoxy-2H-chromen-2-one

Drug Info

[25]

8-methoxy-2-oxo-2H-chromene-3-carboxylic acid

Drug Info

[25]

BENZOLAMIDE

Drug Info

[14]

Benzothiazole-2-sulfonic acid amide

Drug Info

[30]

Beta-naphthylboronic acid

Drug Info

[34]

Biphenyl-4-ylboronic acid

Drug Info

[34]

Carzenide

Drug Info

[14]

CATECHIN

Drug Info

[15]

CATECHOL

Drug Info

[16]

CL-5343

Drug Info

[36]

COUMARIN

Drug Info

[25]

Decane-1,10-diyl disulfamate

Drug Info

[37]

Decyl sulfamate

Drug Info

[37]

ELLAGIC ACID

Drug Info

[16]

ETHOXYCOUMARIN

Drug Info

[25]

Ethyl 7-methoxy-2-oxo-2H-chromene-3-carboxylate

Drug Info

[25]

GALLICACID

Drug Info

[16]

HERNIARIN

Drug Info

[25]

Hexane-1,6-diamine

Drug Info

[20]

100

N-(5-ethyl-1,3,4-thiadiazol-2-yl)sulfamide

Drug Info

[38]

101

N-(5-phenyl-1,3,4-thiadiazol-2-yl)sulfamide

Drug Info

[38]

102

N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)sulfamide

Drug Info

[38]

103

N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]sulfamide

Drug Info

[38]

104

N-[5-(methylthio)-1,3,4-thiadiazol-2-yl]sulfamide

Drug Info

[38]

105

N1-(2-aminoethyl)ethane-1,2-diamine

Drug Info

[20]

106

N1-(naphthalen-1-yl)ethane-1,2-diamine

Drug Info

[20]

107

Octane-1,8-diyl disulfamate

Drug Info

[37]

108

Octyl sulfamate

Drug Info

[37]

109

P-Coumaric Acid

Drug Info

[16]

110

P-toluenesulfonamide

Drug Info

[14]

111

P-tolylboronic acid

Drug Info

[34]

112

PARAOXON

Drug Info

[35]

113

Pentane-1,5-diamine

Drug Info

[20]

114

Phenyl Boronic acid

Drug Info

[39]

115

Phenylarsonic acid

Drug Info

[39]

116

PHENYLDIFLUOROMETHANESULFONAMIDE

Drug Info

[21]

117

PHENYLMETHANESULFONAMIDE

Drug Info

[21]

118

PRONTOCIL

Drug Info

[32]

119

RESORCINOL

Drug Info

[24]

120

SACCHARIN

Drug Info

[40]

121

Sodium maleate

Drug Info

[41]

122

SULFAMATE

Drug Info

[39]

123

Syringic Acid

Drug Info

[16]

Chemical Structure based Activity Landscape of Target

Top

Drug Property Profile of Target

Top

(1) Molecular Weight (mw) based Drug Clustering

(2) Octanol/Water Partition Coefficient (xlogp) based Drug Clustering

(3) Hydrogen Bond Donor Count (hbonddonor) based Drug Clustering

(4) Hydrogen Bond Acceptor Count (hbondacc) based Drug Clustering

(5) Rotatable Bond Count (rotbonds) based Drug Clustering

(6) Topological Polar Surface Area (polararea) based Drug Clustering

"RO5" indicates the cutoff set by lipinski's rule of five; "D123AB" colored in GREEN denotes the no violation of any cutoff in lipinski's rule of five; "D123AB" colored in PURPLE refers to the violation of only one cutoff in lipinski's rule of five; "D123AB" colored in BLACK represents the violation of more than one cutoffs in lipinski's rule of five

Co-Targets

Top

Co-Targets

Co-Targets Info

Target Poor or Non Binders

Top

Target Poor or Non Binders

Target Poor or Non Binders Info

Target-Related Models and Studies

Top

Target Validation

Target Validation Info

Target QSAR Model

References

Top

REF 1

Carbonic anhydrase inhibitors. Interaction of indapamide and related diuretics with 12 mammalian isozymes and X-ray crystallographic studies for th... Bioorg Med Chem Lett. 2008 Apr 15;18(8):2567-73.

REF 2

URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7289).

REF 3

FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 013264.

REF 4

Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015

REF 5

REF 6

Drug information of Salicyclic acid, 2008. eduDrugs.

REF 7

ClinicalTrials.gov (NCT00634166) Prospective Evaluation of the Effects of Topical Therapy With Sulfamylon For 5% Topical Solution on Autograft Healing in Subjects With Thermal Injuries Requiring Meshed Autografts: A Comparison to a Historical Control Group. U.S. National Institutes of Health.

REF 8

REF 9

Nanocurcumin: a promising therapeutic advancement over native curcumin. Crit Rev Ther Drug Carrier Syst. 2013;30(4):331-68.

REF 10

Adjunctive topiramate enhances the risk of hypothermia associated with valproic acid therapy. J Clin Pharm Ther. 2008 Oct;33(5):513-9.

REF 11

Irosustat: a first-generation steroid sulfatase inhibitor in breast cancer. Expert Rev Anticancer Ther. 2011 Feb;11(2):179-83.

REF 12

Carbonic anhydrase inhibitors as antitumor/antimetastatic agents: a patent review (2008-2018).Expert Opin Ther Pat. 2018 Oct;28(10):729-740.

REF 13

Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols. Bioorg Med Chem Lett. 2008 Jun 15;18(12):3593-6.

REF 14

Cloning, expression, post-translational modifications and inhibition studies on the latest mammalian carbonic anhydrase isoform, CA XV. J Med Chem. 2009 Feb 12;52(3):646-54.

REF 15

Carbonic anhydrase inhibitors. Antioxidant polyphenols effectively inhibit mammalian isoforms I-XV. Bioorg Med Chem Lett. 2010 Sep 1;20(17):5050-3.

REF 16

Carbonic anhydrase inhibitors. Inhibition of mammalian isoforms I-XIV with a series of natural product polyphenols and phenolic acids. Bioorg Med Chem. 2010 Mar 15;18(6):2159-2164.

REF 17

Anti-obesity drugs. Expert Opin Pharmacother. 2008 Jun;9(8):1339-50.

REF 18

Carbonic anhydrase inhibitors. Interaction of the antitumor sulfamate EMD 486019 with twelve mammalian carbonic anhydrase isoforms: Kinetic and X-r... Bioorg Med Chem Lett. 2008 Aug 1;18(15):4282-6.

REF 19

Carbonic anhydrase inhibitors: crystallographic and solution binding studies for the interaction of a boron-containing aromatic sulfamide with mamm... Bioorg Med Chem Lett. 2010 Jun 15;20(12):3601-5.

REF 20

Polyamines inhibit carbonic anhydrases by anchoring to the zinc-coordinated water molecule. J Med Chem. 2010 Aug 12;53(15):5511-22.

REF 21

Carbonic anhydrase inhibitors: inhibition of the human isozymes I, II, VA, and IX with a library of substituted difluoromethanesulfonamides. Bioorg Med Chem Lett. 2005 Dec 1;15(23):5192-6.

REF 22

N-hydroxyurea--a versatile zinc binding function in the design of metalloenzyme inhibitors. Bioorg Med Chem Lett. 2006 Aug 15;16(16):4316-20.

REF 23

Indanesulfonamides as carbonic anhydrase inhibitors and anticonvulsant agents: structure-activity relationship and pharmacological evaluation. Eur J Med Chem. 2008 Dec;43(12):2853-60.

REF 24

Carbonic anhydrase inhibitors: inhibition of mammalian isoforms I-XIV with a series of substituted phenols including paracetamol and salicylic acid. Bioorg Med Chem. 2008 Aug 1;16(15):7424-8.

REF 25

Deciphering the mechanism of carbonic anhydrase inhibition with coumarins and thiocoumarins. J Med Chem. 2010 Jan 14;53(1):335-44.

REF 26

How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.

REF 27

Carbonic anhydrase inhibitors. Inhibition and homology modeling studies of the fungal beta-carbonic anhydrase from Candida albicans with sulfonamides. Bioorg Med Chem. 2009 Jul 1;17(13):4503-9.

REF 28

Carbonic anhydrase inhibitors. Inhibition of the prokariotic beta and gamma-class enzymes from Archaea with sulfonamides. Bioorg Med Chem Lett. 2004 Dec 20;14(24):6001-6.

REF 29

Carbonic anhydrase inhibitors: inhibition of human cytosolic isozyme II and mitochondrial isozyme V with a series of benzene sulfonamide derivatives. Bioorg Med Chem Lett. 2004 Nov 15;14(22):5703-7.

REF 30

Carbonic anhydrase inhibitors. Inhibition of the human cytosolic isozyme VII with aromatic and heterocyclic sulfonamides. Bioorg Med Chem Lett. 2005 Feb 15;15(4):971-6.

REF 31

Carbonic anhydrase inhibitors. Aromatic/heterocyclic sulfonamides incorporating phenacetyl, pyridylacetyl and thienylacetyl tails act as potent inh... Bioorg Med Chem. 2009 Jul 15;17(14):4894-9.

REF 32

Carbonic anhydrase inhibitors: cloning, characterization, and inhibition studies of the cytosolic isozyme III with sulfonamides. Bioorg Med Chem. 2007 Dec 1;15(23):7229-36.

REF 33

Inhibition of human mitochondrial carbonic anhydrases VA and VB with para-(4-phenyltriazole-1-yl)-benzenesulfonamide derivatives. Bioorg Med Chem Lett. 2008 Aug 15;18(16):4624-7.

REF 34

Carbonic anhydrase inhibitors. Inhibition of the fungal beta-carbonic anhydrases from Candida albicans and Cryptococcus neoformans with boronic acids. Bioorg Med Chem Lett. 2009 May 15;19(10):2642-5.

REF 35

Paraoxon, 4-nitrophenyl phosphate and acetate are substrates of - but not of -, - and -carbonic anhydrases. Bioorg Med Chem Lett. 2010 Nov 1;20(21):6208-12.

REF 36

Carbonic anhydrase inhibitors. The X-ray crystal structure of human isoform II in adduct with an adamantyl analogue of acetazolamide resides in a l... Bioorg Med Chem Lett. 2010 Aug 1;20(15):4376-81.

REF 37

Carbonic anhydrase inhibitors. Comparison of aliphatic sulfamate/bis-sulfamate adducts with isozymes II and IX as a platform for designing tight-bi... J Med Chem. 2009 Oct 8;52(19):5990-8.

REF 38

Carbonic anhydrase inhibitors: 2-substituted-1,3,4-thiadiazole-5-sulfamides act as powerful and selective inhibitors of the mitochondrial isozymes ... Bioorg Med Chem Lett. 2008 Dec 15;18(24):6332-5.

REF 39

Carbonic anhydrase inhibitors: inhibition of the cytosolic human isozyme VII with anions. Bioorg Med Chem Lett. 2006 Jun 15;16(12):3139-43.

REF 40

Carbonic anhydrase inhibitors. Characterization and inhibition studies of the most active beta-carbonic anhydrase from Mycobacterium tuberculosis, ... Bioorg Med Chem Lett. 2009 Dec 1;19(23):6649-54.

REF 41

Carbonic anhydrase inhibitors. Inhibition of the beta-class enzymes from the fungal pathogens Candida albicans and Cryptococcus neoformans with ali... Bioorg Med Chem. 2009 Apr 1;17(7):2654-7.

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.

Prof. Feng ZHU

Prof. Yuzong CHEN