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Popular Name: Diethylammonium diethyldithiocarbamate Diethylammonium diethyldithiocar…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CAH1-2-E Carbonic Anhydrase I (cluster #2 Of 12), Eukaryotic Eukaryotes 790 1.07 Binding ≤ 10μM
CAH2-2-E Carbonic Anhydrase II (cluster #2 Of 15), Eukaryotic Eukaryotes 3100 0.96 Binding ≤ 10μM
CAH4-2-E Carbonic Anhydrase IV (cluster #2 Of 16), Eukaryotic Eukaryotes 6500 0.91 Binding ≤ 10μM
Z80076-2-O CEM-SS (T-cell Leukemia) (cluster #2 Of 5), Other Other 2 1.52 Functional ≤ 10μM
Z80295-3-O MT4 (Lymphocytes) (cluster #3 Of 8), Other Other 137 1.20 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) 1.82 5.22 -40.58 0 1 -1 3 148.276 3 ↓

Parameters Provided:

target.name = Z80295-3-O
target.type = F10
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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'Z80295-3-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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