UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

36351251
36351251
36351252
36351252
36351275
36351275
36351277
36351277
1547191
1547191

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3S,4S,5S,6S)-2-methyl-6-(4-nitrophenyl)sulfanyl-tetrahydrothiopyran-3,4,5-triol (2S,3S,4S,5S,6S)-2-methyl-6-(4-n…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FUCO-1-E Alpha-L-fucosidase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 3300 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 3300 0.38 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 1.09 -12.01 3 6 0 107 317.388 3 ↓

Analogs

36351251
36351251
36351252
36351252
36351275
36351275
36351277
36351277
1547191
1547191

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3S,4S,5S,6S)-2-methyl-6-(4-nitrophenyl)sulfanyl-tetrahydrothiopyran-3,4,5-triol (2R,3S,4S,5S,6S)-2-methyl-6-(4-n…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FUCO-1-E Alpha-L-fucosidase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 3300 0.38 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
FUCO_HUMAN P04066 Alpha-L-fucosidase I, Human 3300 0.38 Binding ≤ 10μM

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.34 1.32 -11.76 3 6 0 107 317.388 3 ↓

Parameters Provided:

ring.id = 148708
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 148708 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=148708&filter.purchasability=annotated

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