UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32269627
32269627
36184763
36184763
36184764
36184764

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,4S,5R)-4-hydroxy-5-[(tritylamino)methyl]tetrahydrofuran-2-yl]pyrimidine-2,4-dione 1-[(2R,4S,5R)-4-hydroxy-5-[(trit…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Q8II92-1-E DUTP Pyrophosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.27 Binding ≤ 10μM
Q8II92-1-E DUTP Pyrophosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 200 0.27 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 4500 0.21 Functional ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 4500 0.21 Functional ≤ 10μM
Z50426-1-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #1 Of 9), Other Other 4500 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Q8II92_PLAF7 Q8II92 DUTP Pyrophosphatase, Plaf7 200 0.27 Binding ≤ 1μM
Q8II92_PLAF7 Q8II92 DUTP Pyrophosphatase, Plaf7 200 0.27 Binding ≤ 10μM
Z50425 Z50425 Plasmodium Falciparum 4500 0.21 Functional ≤ 10μM
Z50426 Z50426 Plasmodium Falciparum (isolate K1 / Thailand) 4500 0.21 Functional ≤ 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) 3.13 6.18 -13.89 3 7 0 96 469.541 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2R,4S,5R)-4-fluoro-5-[(tritylamino)methyl]tetrahydrofuran-2-yl]pyrimidine-2,4-dione 1-[(2R,4S,5R)-4-fluoro-5-[(trity…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 5300 0.21 Functional ≤ 10μM
Z50725-3-O Trypanosoma Brucei Rhodesiense (cluster #3 Of 7), Other Other 3600 0.22 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 5300 0.21 Functional ≤ 10μM
Z50725 Z50725 Trypanosoma Brucei Rhodesiense 3600 0.22 Functional ≤ 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) 4.06 9.9 -13.18 2 6 0 76 471.532 7 ↓

Parameters Provided:

ring.id = 222007
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 = 222007 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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