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Popular Name: Mechlorethamine Mechlorethamine

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80125-3-O DU-145 (Prostate Carcinoma) (cluster #3 Of 9), Other Other 7600 0.90 Functional ≤ 10μM
Z80133-3-O EMT6 (Mammary Carcinoma Cells) (cluster #3 Of 3), Other Other 150 1.19 Functional ≤ 10μM
Z80493-5-O SK-OV-3 (Ovarian Carcinoma Cells) (cluster #5 Of 6), Other Other 1090 1.04 Functional ≤ 10μM
Z80667-2-O AA8 (cluster #2 Of 2), Other Other 2000 1.00 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) 1.55 5.38 -39.46 1 1 1 4 157.064 4 ↓

Parameters Provided:

target.name = Z80133-3-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 'Z80133-3-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=Z80133-3-O&target.type=F10&filter.purchasability=purchasable

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