Target Poor or Non Binder(s) Information
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T21678 | Target Info | |||
| Target Name | Alpha-galactosidase A (GLA) | ||||
| Synonyms |
Melibiase; INN=Agalsidase; Alpha-D-galactoside galactohydrolase; Alpha-D-galactosidase A
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| Target Type | Successful Target | ||||
| Gene Name | GLA | ||||
| Biochemical Class | Glycosylase | ||||
| UniProt ID | |||||
| Poor Binders of This Target (in total, 5 binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
(3s,4r,5r,6s)-Azepane-3,4,5,6-Tetrol
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Investigative | Compound Info | ||
| Synonyms |
Azepane-3,4,5,6-tetraol; CHEMBL13922; SCHEMBL7636918; 1,6-Imino-1,6-dideoxy-L-iditol; BDBM50287006; Q27454072
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| Activity |
Ki = 67000 nM
|
[1] | |||
| Compound Name |
(2R,3S,5S,6R)-2,6-Bis(hydroxymethyl)piperidine-3,4,5-triol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1169500; alpha-Homogalactostatin; SCHEMBL1879685; .alpha.-3,4-Di-epi-homonojirimycin; BDBM50369362
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| Activity |
IC50 = 80000 nM
|
[2] | |||
| Compound Name |
Chembl4209809
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Investigative | Compound Info | ||
| Synonyms |
BDBM50456587
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| Activity |
IC50 = 159000 nM
|
[3] | |||
| Compound Name |
Chembl4206239
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Investigative | Compound Info | ||
| Synonyms |
BDBM50456590
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|
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| Activity |
IC50 = 171000 nM
|
[3] | |||
| Compound Name |
Chembl4218664
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Investigative | Compound Info | ||
| Synonyms |
BDBM50456585
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| Activity |
IC50 = 185000 nM
|
[3] | |||
| Non Binders of This Target (in total, 16 non binders) | Download | Top | |||
|---|---|---|---|---|---|
| Compound Name |
6-O-beta-D-Glucopyranosyl-2,3-dideoxy-beta-1-C-ethyl-1-deoxygalactonojirimycin
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL1163254; BDBM50320825
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|
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| Activity |
IC50 = 224000 nM
|
[4] | |||
| Compound Name |
Schembl21186190
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3985941; BDBM50204609; 5beta-(Aminomethyl)-2beta-(hydroxymethyl)pyrrolidine-3alpha,4alpha-diol
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| Activity |
IC50 = 266000 nM
|
[5] | |||
| Compound Name |
Chembl162989
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3215440; BDBM50137351; 2-(R)-Amino-3-(3,4,5,6-tetrahydroxy-tetrahydro-pyran-2-ylmethoxy)-butyric acid
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| Activity |
Ki = 300000 nM
|
[6] | |||
| Compound Name |
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3S,4S,5R)-
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL368121; 1-Deoxyidonojirimycin; SCHEMBL2434068; BDBM50163441; (2R,3S,4S,5R)-2-(hydroxymethyl)piperidine-3,4,5-triol; (2R,3S,4S,5R)-2-Hydroxymethyl-piperidine-3,4,5-triol
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| Activity |
IC50 = 390000 nM
|
[7] | |||
| Compound Name |
2-Amino-3-(3,4,5,6-tetrahydroxy-tetrahydro-pyran-2-ylmethoxy)-propionic acid
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3215441; CHEMBL351669; BDBM50137350
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| Activity |
Ki = 400000 nM
|
[6] | |||
| Compound Name |
1-Butyl-piperidine-3,4,5-triol
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Investigative | Compound Info | ||
| Synonyms |
CHEMBL152232; SCHEMBL3378984; 1-butylpiperidine-3,4,5-triol; BDBM50288855
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| Activity |
IC50 = 725000 nM
|
[8] | |||
| Compound Name |
(3As,6S,6aS)-3-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d][1,2]oxazole-5,6-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL96060; CTK8A2178; BDBM50073993; (3aS,6S,6aS)-3-(hydroxymethyl)-3a,5,6,6a-tetrahydrofuro[2,3-d]isoxazole-5,6-diol; (3aS,6S,6aS)-3-Hydroxymethyl-3a,5,6,6a-tetrahydro-furo[2,3-d]isoxazole-5,6-diol; (6S)-3-(Hydroxymethyl)-3a,6a-dihydro-5H,6H,3aH,6aH-oxolano[2,3-d]isoxazole-5,6-diol
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|
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| Activity |
IC50 = 805000 nM
|
[9] | |||
| Compound Name |
3,4,5-Piperidinetriol, 2-(hydroxymethyl)-, (2R,3S,4S,5S)-
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL369046; 1-Deoxygulonojirimycin; SCHEMBL9620329; BDBM50163443; (2R,3S,4S,5S)-2-Hydroxymethyl-piperidine-3,4,5-triol
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|
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| Activity |
IC50 = 920000 nM
|
[7] | |||
| Compound Name |
5-Methylpiperidine-3,4-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL357108; SCHEMBL6432951; AKOS006378114
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|
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| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Compound Name |
5-Methylene-piperidine-3,4-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL150938; BDBM50288854
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|
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| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Compound Name |
1-Butyl-5-methyl-piperidine-3,4-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL356023; BDBM50288853
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|
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| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Compound Name |
5-Methoxy-piperidine-3,4-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL414447; BDBM50288852
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|
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| Activity |
IC50 > 1000000 nM
|
[8] | |||
| Compound Name |
(3R,4S,5R,6R)-6-(2-Hydroxyethyl)-5-(hydroxymethyl)piperidine-3,4-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3770764; BDBM50150471
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|
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| Activity |
Ki > 2000000 nM
|
[10] | |||
| Compound Name |
D-Galacto-Isofagomine
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL1818433; (3R,4S,5R)-5-(Hydroxymethyl)piperidine-3,4-diol; 4-epi-Isofagomine; SCHEMBL12232220; CTK0E4850; DTXSID30437108; BDBM50350758; Q27460740; 3,4-Piperidinediol, 5-(hydroxymethyl)-, (3R,4S,5R)-
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|
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| Activity |
Ki > 2000000 nM
|
[10] | |||
| Compound Name |
(3R,4S,5R,6R)-6-(4-Aminobutyl)-5-(hydroxymethyl)piperidine-3,4-diol
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3770736; BDBM50150472
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|
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| Activity |
Ki > 2000000 nM
|
[10] | |||
| Compound Name |
N-[4-[(2R,3R,4S,5R)-4,5-Dihydroxy-3-(hydroxymethyl)piperidin-2-yl]butyl]-5-(dimethylamino)naphthalene-1-sulfonamide
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|
Investigative | Compound Info | ||
| Synonyms |
CHEMBL3771185; BDBM50150470
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|
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| Activity |
Ki > 2000000 nM
|
[10] | |||
| Click to Show/Hide the Information of All Non Binders | |||||
| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Synthesis of C2-symmetrical polyhydroxyazepanes as inhibitors of glycosidases. Bioorg Med Chem Lett. 1996 May 21;6(10):1117-22. | ||||
| REF 2 | Homonojirimycin isomers and N-alkylated homonojirimycins: structural and conformational basis of inhibition of glycosidases. J Med Chem. 1998 Jul 2;41(14):2565-71. | ||||
| REF 3 | Tuning of -glucosidase and alpha-galactosidase inhibition by generation and in situ screening of a library of pyrrolidine-triazole hybrid molecules. Eur J Med Chem. 2017 Sep 29;138:532-542. | ||||
| REF 4 | 2,5-Dideoxy-2,5-imino-d-altritol as a new class of pharmacological chaperone for Fabry disease. Bioorg Med Chem. 2010 Jun 1;18(11):3790-4. | ||||
| REF 5 | Bioevaluation of sixteen ADMDP stereoisomers toward alpha-galactosidase A: Development of a new pharmacological chaperone for the treatment of Fabry disease and potential enhancement of enzyme replacement therapy efficiency. Eur J Med Chem. 2016 Nov 10;123:14-20. | ||||
| REF 6 | Novel O-glycosyl amino acid mimetics as building blocks for O-glycopeptides act as inhibitors of galactosidases. Bioorg Med Chem Lett. 2004 Jan 5;14(1):73-5. | ||||
| REF 7 | Biological properties of D- and L-1-deoxyazasugars. J Med Chem. 2005 Mar 24;48(6):2036-44. | ||||
| REF 8 | Synthesis of a new inhibitor of alpha-fucosidase. Bioorg Med Chem Lett. 1996 Mar 5;6(5):553-8. | ||||
| REF 9 | Specific, uncompetitive inhibition of beta-galactosidases by a 5,6-isopropylidenedioxyfuro[2,3-d]isoxazole-3-methanol derivative. Bioorg Med Chem Lett. 1999 Jan 18;9(2):277-8. | ||||
| REF 10 | Synthesis of C-5a-chain extended derivatives of 4-epi-isofagomine: Powerful -galactosidase inhibitors and low concentration activators of GM1-gangliosidosis-related human lysosomal -galactosidase. Bioorg Med Chem Lett. 2016 Mar 1;26(5):1438-42. | ||||
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