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Popular Name: 1-(2-Hydroxy-5-(trifluoromethyl)phenyl)-5-(trifluoromethyl)-1H-benzo[d]imidazol-2(3H)-one 1-(2-Hydroxy-5-(trifluoromethyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HS90A-2-E Heat Shock Protein HSP 90-alpha (cluster #2 Of 4), Eukaryotic Eukaryotes 3320 0.31 Binding ≤ 10μM
KCMA1-1-E Calcium-activated Potassium Channel Subunit Alpha-1 (cluster #1 Of 1), Eukaryotic Eukaryotes 5129 0.30 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 7943 0.29 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) 4.31 6.12 -11.71 2 4 0 58 362.229 3 ↓
Mid Mid (pH 6-8) 4.31 6.89 -42.7 1 4 -1 61 361.221 3 ↓

Parameters Provided:

annotation.name = KCMA1_RAT
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 'KCMA1\\_RAT' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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