UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: MITOZOLOMIDE MITOZOLOMIDE

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80552-1-O TLX-5 (cluster #1 Of 1), Other Other 2500 0.49 Functional ≤ 10μM
Z80870-2-O GM892A Cell Line (cluster #2 Of 2), Other Other 4800 0.47 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) -1.29 -1.99 -9.56 2 8 0 108 242.626 3 ↓

Analogs

36466906
36466906

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Popular Name: Temozolomide Temozolomide

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Vendors

And 46 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80552-1-O TLX-5 (cluster #1 Of 1), Other Other 5000 0.53 Functional ≤ 10μM
Z80870-2-O GM892A Cell Line (cluster #2 Of 2), Other Other 7600 0.51 Functional ≤ 10μM
Z80928-2-O HCT-116 (Colon Carcinoma Cells) (cluster #2 Of 9), Other Other 4340 0.54 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) -1.90 -0.18 -10.41 2 8 0 108 194.154 1 ↓

Parameters Provided:

target.name = Z80552-1-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 'Z80552-1-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z80552-1-O&target.type=F10&filter.purchasability=purchasable

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