Diese Seite gibt einen Überblick über Inhibitoren der verschiedenen Carboanhydrasen (CA) und Dihydropteroin-Synthasen (DHPS). Wo nichts weiter angegeben ist, sind menschliche Enzyme abgebildet. Die CA II/IX-Hybriden sind CAII mit dem reaktiven Zentrum der CA IX.

# CA I
****** ohne Ligand
2cab	ZN	Enzym ohne Ligand
**** mit Liganden ***
1azm	AZM	Acetazolamid
1bzm	MZM	Methazolamid
1czm	AAS	Acetyloxy-(2-amino-5-sulfamoyl-phenyl)quecksilber
3LXE	TOR	Topiramat
# CA II
**** ohne Ligand ****
3TMJ	ZN	Enzym ohne Ligand, pH 7.8	*NEUTRONENSTREUUNG*
3KKX	ZN	Enzym ohne Ligand, pH 7.8	*NEUTRONENSTREUUNG*
**** Substrat, Produkt, kleine Liganden ****
3D92	CO2	CO₂
1BIC	BCT	HCO₃^-, Hydrogencarbonat
1XEG	ACT	CH3COO^-, Acetat
1RAZ	BR	Br^-, Bromid
1RAY	AZI	N₃^- Azid
1CVB	SO4	SO₄^2-, Sulfat
1F2W	CNN	CH₂N₂, Cyanamid
1OK1	SO4 or GOL or ACT	SO₄^2- (SO4) und Glycerol (GOL) und CH3COO^-, Acetat (ACT)
1AM6	ACE	Acetohydroxamsäure, Hydroxamat
**** Inhibitoren ***
6RL9	SAN	Sulfanilamid
6BC9	ETS	Dorzolamid	*NEUTRONENSTREUUNG*
1CIL	ETS	Dorzolamid
4M2U	ETS	Dorzolamid
5C8I	MZM	Methazolamid	*NEUTRONENSTREUUNG*
4G0C	AZM	Acetazolamid, 5-Acetamido-1,3,4-thiadiazol-2-sulfonamid	*NEUTRONENSTREUUNG*
2H4N	AZM	Acetazolamid, 5-Acetamido-1,3,4-thiadiazol-2-sulfonamid
1YDB	AZM	Acetazolamid, 5-Acetamido-1,3,4-thiadiazol-2-sulfonamid
6BCC	EZL	Ethoxzolamid	*NEUTRONENSTREUUNG*
1CIM	PTS	(4S-Trans)-4-(amino)-5,6-dihydro-6-methyl-4H-thieno (2,3-b)thiopyran-2-sulfonamid-7,7-dioxid
1CIN	MTS	(4S,6S)-6-methyl-4-methylamino-7,7-dioxo-5,6-dihydro-4H-thieno[5,4-b]thiopyran-2-sulfonamide
2HL4	BO1	N-(4-Sulfamoylphenyl)-beta-D-glucopyranosylamin
6BBS	BZ1	Brinzolamid	*NEUTRONENSTREUUNG*
1A42	BZU	(2S,4R)-2-(2-ethoxyethyl)-4-ethylamino-1,1-dioxo-3,4-dihydrothieno[4,5-e][1,2]thiazin-6-sulfonamid
3CA2	AMS	3-Mercuri-4-aminobenzensulfonamid
1IF9	SBB	N-[2-(1H-Indol-5-yl)-butyl]-4-sulfamoyl-benzamid
1IF8	SBS	(S)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamid
1IF7	SBR	(R)-N-(3-Indol-1-yl-2-methyl-propyl)-4-sulfamoyl-benzamid
1I9Q	IOF	4-(Aminosulfonyl)-N-[(3,4,5-trifluorophenyl)methyl]-benzamid
1I9P	IOE	4-(Aminosulfonyl)-N-[(2,4,6-trifluorophenyl)methyl]-benzamid
1I9O	IOC	4-(Aminosulfonyl)-N-[(2,3,4-trifluorophenyl)methyl]-benzamid
1I9N	IOA	4-(Aminosulfonyl)-N-[(2,5-difluorophenyl)methyl]-benzamid
1I9M	INW	4-(Aminosulfonyl)-N-[(2,4-difluorophenyl)methyl]-benzamid
1I9L	INV	4-(Aminosulfonyl)-N-[(4-fluorophenyl)methyl]-benzamid
1CNY	EG3	Phenylalanylaminodi(ethyloxy)ethyl benzenesulfonamideaminocarbonylbenzenesulfonamid
1CNX	EG2	Aminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
1CNW	EG1	Aminomethylenecarbonylaminodi(ethyloxy)ethylaminocarbonylbenzenesulfonamide
1G1D	FSB	N-(2-Fluoro-benzyl)-4-sulfamoyl-benzamid
1G45	FSB	N-(2-Fluoro-benzyl)-4-sulfamoyl-benzamid
1G4O	BSB	N-Benzyl-4-sulfamoyl-benzamid
1G48	F6B	N-(2,6-Difluoro-benzyl)-4-sulfamoyl-benzamid
1G53	F6B	N-(2,6-Difluoro-benzyl)-4-sulfamoyl-benzamid
1G46	F2B	N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamid
1G52	F2B	N-(2,3-Difluoro-benzyl)-4-sulfamoyl-benzamid
1G54	FFB	N-(2,3,4,5,6-Pentafluoro-benzyl)-4-sulfamoyl-benzamid
1G4J	FFB	N-(2,3,4,5,6-Pentafluoro-benzyl)-4-sulfamoyl-benzamid
1OKM	SAB	4-Sulfonamid-[1-(4-aminobutan)]benzamid
1OKN	STB	4-Sulfonamid-[4-(thiomethylaminobutan)]benzamid
5NXW	RA9	2-[(5-azanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-~{N}-(4-sulfamoylphenyl)ethanamid
2OSM	HTS	2-Mercaptophenol
1BCD	FMS	Trifluoromethan-sulfonamid
1BNN	AL1	3,4-Dihydro-2-(3-methoxyphenyl)-2h-thieno-[3,2-e]-1,2-thiazin-6-sulfonamid-1,1-dioxid
1BNT	AL2	3,4-Dihydro-4-hydroxy-2-(4-methoxyphenyl)-2h-thieno[3,2-e]-1,2-thiazin-6-sulfonamid-1,1-dioxid
1BNU	AL3	3,4-Dihydro-4-hydroxy-2-(2-thienymethyl)-2h-thieno[3,2-e]-1,2-thiazin-6-sulfonamid-1,1-dioxid
1BNQ	AL4	(R)-4-Ethylamino-3,4-dihydro-2-(2-methoylethyl)-2h-thieno[3,2-e]-1,2-thiazin-6-sulfonamid-1,1-dioxid
1BN1	AL5	Thiophen-2,5-disulfonisäure-2-amid-5-(4-methyl-benzylamid)
1BN3	AL6	2-(3-Methoxyphenyl)-2H-Thieno-[3,2-E]-1,2-Thiazin-6-Sulfinamid-1,1-Dioxid
1BNV	AL7	(S)-3,4-Dihydro-2-(3-methoxyphenyl)-4-methylamino-2h-thieno[3,2-e]-1,2-thiazin-6-sulfonamid-1,1-dioxid
1BNM	AL8	(R)-3,4-Dihydro-2-(3-methoxyphenyl)-4-methylamino-2H-thieno[3,2-e]-1,2-thiazin-6-sulfonamid-1,1-dioxid
1BN4	AL9	N-[(4-Methoxyphenyl)methyl]2,5-thiophendesulfonamid
1BNW	TPD	N-(2-Thienylmethyl)-2,5-thiophendisulfonamid
3HKU	TOR	Topiramat
1EOU	SMS	Sulfamic acid 2,3-O-(1-methylethylidene)-4,5-O-sulfonyl-beta-fructopyranose ester
1OQ5	CEL	Celecoxib (COX2-Hemmer)
**** Kinetic and structural insights ***
2WEJ	FB2 or GOL	Benzensulfonamid
4YX4	FB2 or MBO or GOL	Benzensulfonamid, Mercuribenzoesäure
4YXI	[4J8] or MBO or GOL	4-Methylbenzensulfonamid, Mercuribenzoesäure
4YXO	[4JC] or MBO or GOL	4-Ethylbenzensulfonamid, Mercuribenzoesäure
4YXU	[4JE] or MBO or GOL	4-Propylbenzensulfonamid, Mercuribenzoesäure
4YYT	S2O or MBO or GOL	4-(2-Hydroxyethyl)benzensulfonamid, Mercuribenzoesäure
***** The origin of the hydrophobic effect
3S71	EVD	1-Benzofuran-2-sulfonamid
3S72	EVE	1H-Benzimidazol-2-sulfonamid
3S73	EVF or DMS	1,3-Benzothiazole-2-sulfonamid
3S74	[03T]	1-Benzothiophen-2-sulfonamid
3S75	EVG	Furan-2-sulfonamid
3S76	EVH or DMS	1H-Imidazol-2-sulfonamid
3S77	EVI	1,3-Thiazole-2-sulfonamid
3S78	EVJ	Thiophen-2-sulfonamid
***** Fluoroalkyl and Alkyl Chains Have Similar Hydrophobicities
3RZ5 or DMS	RZ5	N-Pentyl-4-sulfamoylbenzamid
3RYV	RYV	N-Ethyl-4-sulfamoylbenzamid
3RZ7	RZ7	4-sulfamoyl-N-(2,2,3,3,4,4,5,5,6,6,6-undecafluorohexyl)benzamide
3RZ8	RZ8 or DMS	N-Hexyl-4-sulfamoylbenzamid
3RYX	RYX	N-(2,2,3,3,3-Pentafluoropropyl)-4-sulfamoylbenzamid
3RYY	RYY	N-Propyl-4-sulfamoylbenzamid
3RYJ	RYJ	4-Sulfamoyl-N-(2,2,2-trifluoroethyl)benzamid
3RZ0	RZ0	N-Butyl-4-sulfamoylbenzamid
3RZ1	RZ1 or DMS	N-(2,2,3,3,4,4,5,5,5-Nonafluoropentyl)-4-sulfamoylbenzamid
3RYZ	RYZ	N-(2,2,3,3,4,4,4-Heptafluorobutyl)-4-sulfamoylbenzamid
4KAP	[1QV]	4,5,6,7-Tetrafluoro-1,3-benzothiazole-2-sulfonamid
# CA III
1FLJ	ZN	Enzym ohne Ligand		Rattus norvegicus
# CA IV
1ZNC	SO4	SO₄^2- (SO4)
2ZNC	SO4	Enzym ohne Ligand		Mus musculus
3ZNC	BZ1	Brinzolamid		Mus musculus
5JNA	TOR	Topiramat
# CA V
1DMX	ZN	Enzym ohne Ligand		Mus musculus
1DMY	AZM	Acetazolamid, 5-Acetamido-1,3,4-thiadiazol-2-sulfonamid		Mus musculus
1KEQ	4MZ or ACY	F65A/Y131C-Mutante, 4-Methylimidazol und Essigsäure		Mus musculus
1URT	ZN	Y64H/F65A-Mutante 1URT
# CA II/IX-Hybrid
6FJI	ZN	Enzym ohne Ligand	*NEUTRONENSTREUUNG*
6FJJ	LSA	Saccharin	*NEUTRONENSTREUUNG*
# CA XII
1JCZ	ACY	Essigsäure
1JD0	AZM	Acetazolamid, 5-Acetamido-1,3,4-thiadiazol-2-sulfonamid
# CA XIV
1RJ5	NAG or BMA or ACY or CL	Essigsäure		Mus musculus
1RJ6	AZM	Acetazolamid, 5-Acetamido-1,3,4-thiadiazol-2-sulfonamid		Mus musculus
# alpha-CA
4COQ	SAN or PGE or Cl or Zn	alpha-Carboanhydrase mit Sulfanilamid		Thermovibrio ammonificans
# DHPS
3V5O	SO4	Sulfat		Bacillus anthracis
1TWW	HH2 or SO4	Sulfamethoxazol und Sulfat		Bacillus anthracis
3TYA	[78H] or SO4	7,8-Dihydropteorat und Sulfat		Bacillus anthracis
3TYB	PHB or SO4 or XHP	pHBA und DHP+		Bacillus anthracis
3H26	B56 or SO4	SO₄^2- (SO4) und Pterin-basierter Inhibitor (B56)		Bacillus anthracis
3H21	B52 or SO4	SO₄^2- (SO4) und Pterin-basierter Inhibitor (B52)		Bacillus anthracis
3H22	B53 or SO4	SO₄^2- (SO4) und Pterin-basierter Inhibitor (B53)		Bacillus anthracis
3H2O	B63 or SO4	SO₄^2- (SO4) und Pterin-basierter Inhibitor (B63)		Bacillus anthracis
3TYC	SO4 or XHP	SO₄^2- (SO4) und 2-Amino-6-methylidene-6,7-dihydropteridin-4(3H)-on (DHP+, XHP)		Bacillus anthracis
3TYD	POP or SO4 or XHP	SO₄^2- (SO4), P₂O₇^4- Diphosphat (POP) und 2-Amino-6-methylidene-6,7-dihydropteridin-4(3H)-on (DHP+, XHP)		Bacillus anthracis
2Y5S	[78H] OR SO4	Produkt,7,8-Dihydropteroat und Sulfat		Burkholderia cenocepacia
1AJ0	SAN or PH2 or SO4	Sulfanilamid (SAN) und 2-Amino-6-hydroxymethyl-7,8-dihydro-3h-pteridin-4-on (PH2)		Escherichia. coli
1AJ2	[2PH]	[7,8-Dihydro-pterin-6-yl methanyl]-phosphonophosphat		Escherichia coli
5U0Y	[7PJ] or [8HM]	8HM or EDO (Ethandiol)		Escherichia coli
3TYE	SO4 or XHP or XTZ or YTZ	verschiedene Inhibitoren		Escherichia coli
4PZV	EDO or J1D	Bisubstrate analog HPPK inhibitor J1D		Francisella tularensis
1EYE	PMM	Pterin-6-yl-methyl-monophosphate		Mycobakterium tuberculosis
1AD1	TRS	ohne Ligand (mit Tris)		Staphylococcus aureus
1AD4	HH2 or K or MN	Komplex mit 6-Hydroxymethylpterin-diphosphat (wichtige Stelle unmodelliert)		Staphylococcus aureus
6CLV	[6MB]	Doppelmutante F17L (Sulfonamid-Resistenz) und E208K		Staphylococcus aureus
6CLU	none	Doppelmutante F17L (Sulfonamid-Resistenz) und E208K double mutant		Staphylococcus aureus
3TZF	[08D] OR HH2	Sulfamethoxazol (08D) und 6-Hydroxymethylpterindiphosphat (HH2)		Yersinia pestis
5JQ9	[6MB] or EDO	4-[(2-azanyl-4-oxidanylidene-3{H}-pteridin-6-yl)methylamino]-{N}-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide		Yersinia pestis
3TYZ	PAB or XHP or POP	p-Aminobenzoesäure (PAB), 2-Amino-6-methyliden-6,7-dihydropteridin-4(3H)-on (XHP), Pyrophosphat (POP)		Yersinia pestis
3TYU	PT1	Pteroat		Yersinia pestis

Inhibitoren der Carboanhydrasen (CA) und der Dihydropteroin-Synthasen (DHPS)

# CA I

# CA II

# CA III

# CA IV

# CA V

# CA II/IX-Hybrid

# CA XII

# CA XIV

# alpha-CA

# DHPS