UCSF
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Popular Name: Risedronic acid Risedronic acid

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FPPS-1-E Farnesyl Diphosphate Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.48 Binding ≤ 10μM
Q0GKD7-1-E Farnesyl Pyrophosphate Synthase (cluster #1 Of 1), Eukaryotic Eukaryotes 1340 0.48 Binding ≤ 10μM
Q8ST54-1-E Hexokinase (cluster #1 Of 1), Eukaryotic Eukaryotes 6000 0.43 Binding ≤ 10μM
Z50472-3-O Toxoplasma Gondii (cluster #3 Of 4), Other Other 3500 0.45 Functional ≤ 10μM
Z80954-2-O HFF (Foreskin Fibroblasts) (cluster #2 Of 4), Other Other 3500 0.45 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) -2.29 -3.41 -224 2 8 -3 157 280.089 4 ↓
Hi High (pH 8-9.5) -2.29 -2.3 -380.72 1 8 -4 159 279.081 4 ↓
Mid Mid (pH 6-8) -2.29 -4.83 -114.76 3 8 -2 154 281.097 4 ↓

Parameters Provided:

annotation.name = Q8ST54_TRYCR
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'Q8ST54\\_TRYCR' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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