Target Poor or Non Binder(s) Information

Target General Information

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Target ID

T76497

Target Info

Target Name

Phosphogluconate dehydrogenase (PGD)

Synonyms

PGDH; 6PGDH; 6-phosphogluconate dehydrogenase, decarboxylating; 6-phosphogluconate dehydrogenase

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Target Type

Successful Target

Gene Name

PGD

Biochemical Class

CH-OH donor oxidoreductase

UniProt ID

P52209

Poor Binders of This Target (in total, 2 binders)

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Compound Name

Acetic acid (1R,2R)-2-acetoxy-1-(acetyl-benzyloxy-aminocarbonyl)-3-(bis-benzyloxy-phosphoryloxy)-propyl ester

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Investigative

Compound Info

Synonyms

CHEMBL113666; BDBM50148779

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Activity

Ki = 109000 nM

[1]

Compound Name

((R)-2-Hydroxy-3-phosphonooxy-propane-1-sulfinyl)-acetic acid

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Investigative

Compound Info

Synonyms

CHEMBL117133; BDBM50148770

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Activity

Ki = 198000 nM

[1]

Non Binders of This Target (in total, 7 non binders)

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Compound Name

EPICATECHIN

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Phase 2

Compound Info

Synonyms

(-)-Epicatechin; Epicatechin; 490-46-0; L-Epicatechin; (-)-Epicatechol; l-Acacatechin; (2R,3R)-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol; Epicatechol; l-Epicatechol; (-)epicatechin; (2R,3R)-(-)-Epicatechin; UNII-34PHS7TU43; epi-Catechin; epi-Catechol; CCRIS 7097; EINECS 207-710-1; NSC 81161; Epicatechol, (-)-; CHEBI:90; 34PHS7TU43; PFTAWBLQPZVEMU-UKRRQHHQSA-N; (2R,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; (-)-(2R:3R)-5,7,3',4'-Tetrahydroxyflavan-3-ol; AK105372; C15H14O6

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Activity

IC50 > 1000000 nM

[2]

Compound Name

[(4R,5R)-5-Carbamoyl-2,2-dimethyl-1,3-dioxolan-4-yl]methyl dihydrogen phosphate

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Investigative

Compound Info

Synonyms

CHEMBL114894; BDBM50148778; Phosphoric acid mono-((R)-(R)-5-carbamoyl-2,2-dimethyl-[1,3]dioxolan-4-ylmethyl) ester

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Activity

Ki = 588000 nM

[1]

Compound Name

((R)-2-Acetoxy-3-phosphonooxy-propane-1-sulfinyl)-acetic acid

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Investigative

Compound Info

Synonyms

CHEMBL116916; BDBM50148785

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Activity

Ki = 625000 nM

[1]

Compound Name

(5-Carboxy-2,3,4-trihydroxy-3-methylpentoxy)-trihydroxyphosphanium

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Investigative

Compound Info

Synonyms

CHEMBL1160943

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Activity

Ki = 770000 nM

[1]

Compound Name

(-)-Gallocatechin

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Investigative

Compound Info

Synonyms

(2S,3R)-2-(3,4,5-Trihydroxyphenyl)chroman-3,5,7-triol; (2S,3R)-gallocatechin; ent-gallocatechin; MFCD01632616; (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-chroman-3,5,7-triol; (2S,3R)-flavan-3,3',4',5,5',7-hexol; (2S,3R)-flavan-3,5,7,3',4',5'-hexol; (2S,3R)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol; (2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; (2S,3R)-(-)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; GallocatechinGC; l-Gallocatechin; C15H14O7; (-)-Gallocatechol; Gallocatechin (GC); CHEMBL264167; SCHEMBL1742127; CTK8C1347; DTXSID10432358; (2S,3R)-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; ZINC3870337; 3961AB; ANW-66312; BDBM50373220; AKOS015902103; (-)-Gallocatechin, analytical standard; (-)-Gallocatechin, >=98% (HPLC); AS-69567; SC-95647; N1872; A12003; 371G275; J-500978; Q-100410; Q27139455; (2R,3S)-2-(3,4,5-trihydroxy-phenyl)chroman-3,5,7-triol; (2S,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol

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Activity

IC50 > 1000000 nM

[2]

Compound Name

(-)-Catechin

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Investigative

Compound Info

Synonyms

Catechin l-form; (-)-Catechol; CATECHIN, ALPHA; UNII-FHB0GX3D44; (-)-cianidanol; (2S,3R)-2-(3,4-dihydroxyphenyl)chroman-3,5,7-triol; FHB0GX3D44; (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; (2s,3r)-2-(3,4-dihydroxyphenyl)chromane-3,5,7-triol; CHEMBL200715; NSC81746; (2S,3R)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol; trans-2-(3,4-Dihydroxyphenyl)chroman-3,5,7-triol; (+/-)-Catechin; 2H-1-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R)-; MFCD00135997; EINECS 242-611-7; NSC 81746; (2S,3R)-catechin; (2S-trans)-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol; SCHEMBL166733; BCBcMAP01_000008; CTK4D9754; HY-N0898A; DTXSID40172174; ZINC119985; BDBM50236527; NSC-81746; AKOS027446338; CS-W016715; SMP1_000325; AS-73252; KS-00001811; C14079; (-)-Catechin, >=97% (HPLC), from green tea; J-012129; Q27115730; UNII-5J4Y243W61 component PFTAWBLQPZVEMU-HIFRSBDPSA-N; EE68D890-72E6-4BA1-9AD2-038C19D48620; (2S,3R)-2-(3,4-dihydroxyphenyl)-3,4-dihydro-1H-benzopyran-3,5,7-triol; (+/-) trans-2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol; 1H-Benzopyran-3,5,7-triol, 2-(3,4-dihydroxyphenyl)-3,4-dihydro-, (2S,3R)-; 2-(3,4-Dihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol, (2S-trans)

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Activity

IC50 > 1000000 nM

[2]

Compound Name

Epigallocatechin

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Investigative

Compound Info

Synonyms

(-)-Epigallocatechin; Epigallocatechol; epi-Gallocatechin; L-Epigallocatechin; Antiscurvy factor C2; (-)-Epigallocatechol; l-Epigallocatechol; Gallocatechol; (-)-3,3',4',5,5',7-Flavanhexol; 3,3',4',5,5',7-Flavanhexol; 2,3-cis-epigallocatechin; UNII-7Z197MG6QL; (2R,3R)-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol; CHEMBL47386; 7Z197MG6QL; (-)-cis-3,3',4',5,5',7-Hexahydroxyflavane; (2R,3R)-3,4-Dihydro-2-(3,4,5-trihydroxyphenyl)-2H-1-benzopyran-3,5,7-triol; MFCD00075939; 2-(3,4,5-TRIHYDROXY-PHENYL)-CHROMAN-3,5,7-TRIOL; (-)-cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-1(2H)-benzopyran-3,5,7-triol; (2R,3R)-2-(3,4,5-trihydroxyphenyl)chromane-3,5,7-triol; Galloepicatechin; Factor C2 (antiscurvy); Antiscurvy factor C(sub 2); CCRIS 5441; (-)-epi-Gallocatechin; (-)-Epigallocatechin(EGC); C15H14O7; Teacatechin II; NSC674039; 1-epi-3',4',5,5',7-Pentahydroxy-3-Flavan; (-) epigallocatechin; (-)-3,5,7,3',4',5'-Hexahydroxylflavan; epigallocatechin (egc); Spectrum_000806; (-)-Epigallocatechin,; SpecPlus_000269; GC; (-)-gallocatechin; Spectrum2_000703; Spectrum3_000248; Spectrum4_000950; Spectrum5_000889; SCHEMBL19553; BSPBio_001636; KBioGR_001540; KBioSS_001286; SPECTRUM205113; DivK1c_006365; SPBio_000885; BCBcMAP01_000207; KBio1_001309; KBio2_001286; KBio2_003854; KBio2_006422; KBio3_001136; DTXSID40891550; HY-N0225; KS-00000L8I; ZINC3870336; (-)-Epigallocatechin from green tea; BDBM50187665; CCG-38353; LMPK12020004; s3922; AKOS015965244; CS-3762; DB03823; DS-5807; NSC-674039; SDCCGMLS-0066479.P001; SMP1_000114; NCGC00179131-01; NCGC00179131-02; (-)-Epigallocatechin, analytical standard; NCI60_026204; SC-20992; (3,3',4',5,5',7-Hexahydroxyflavan); (-)-Epigallocatechin, 95%, from green tea; E1084; N2414; A12045; C12136; (-)-cis-3,3',4',5,5',7-Hexahydroxyflavan; 970E741; SR-05000002564; Q-200003; Q3044728; SR-05000002564-1; Q51617505; (-)-Epigallocatechin, >=95% (HPLC), from green tea; (2R,3R)-2-(3,4,5-trihydroxyphenyl)chroman-3,5,7-triol; C24E9F59-8F06-44E2-B2DE-FF132A8774F3; Epigallocatechin, primary pharmaceutical reference standard; UNII-T432289GYZ component XMOCLSLCDHWDHP-IUODEOHRSA-N; (-)cis-2-(3,4,5-Trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-3,5,7-triol; 2H-1-Benzopyran-3,7-triol, 3,4-dihydro-2-(3,4,5-trihydroxyphenyl)-, (2R-cis)-

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Activity

IC50 > 1000000 nM

[2]

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References

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REF 1

Selective inhibition of Trypanosoma brucei 6-phosphogluconate dehydrogenase by high-energy intermediate and transition-state analogues. J Med Chem. 2004 Jun 17;47(13):3427-37.

REF 2

Catechin gallates are NADP+-competitive inhibitors of glucose-6-phosphate dehydrogenase and other enzymes that employ NADP+ as a coenzyme. Bioorg Med Chem. 2008 Apr 1;16(7):3580-6.

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