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ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2382835
2382835

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Popular Name: Thiotepa Thiotepa

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Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP2B6-4-E Cytochrome P450 2B6 (cluster #4 Of 4), Eukaryotic Eukaryotes 3800 0.69 ADME/T ≤ 10μM
Z103204-4-O A427 (cluster #4 Of 4), Other Other 1580 0.74 Functional ≤ 10μM
Z80008-3-O 5637 (Epithelial Bladder Carcinoma Cells) (cluster #3 Of 3), Other Other 2000 0.73 Functional ≤ 10μM
Z80112-2-O DAN-G (cluster #2 Of 2), Other Other 1660 0.74 Functional ≤ 10μM
Z80224-14-O MCF7 (Breast Carcinoma Cells) (cluster #14 Of 14), Other Other 3230 0.70 Functional ≤ 10μM
Z80473-2-O SISO (cluster #2 Of 2), Other Other 1400 0.75 Functional ≤ 10μM
Z80604-2-O YAPC (cluster #2 Of 2), Other Other 2660 0.71 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) 1.07 2.76 -19.54 0 3 0 9 189.224 3 ↓

Parameters Provided:

target.name = Z80224-14-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 'Z80224-14-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=Z80224-14-O&target.type=F10&filter.purchasability=purchasable

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