UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4822136
4822136
33970590
33970590

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Popular Name: LS-132509 LS-132509

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 70 0.37 Functional ≤ 10μM
Z50459-1-O Leishmania Donovani (cluster #1 Of 8), Other Other 255 0.34 Functional ≤ 10μM
Z80111-1-O CX-1 (cluster #1 Of 1), Other Other 810 0.32 Functional ≤ 10μM
Z81115-2-O KB (Squamous Cell Carcinoma) (cluster #2 Of 6), Other Other 860 0.31 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) 0.22 12.46 -39.7 0 4 1 31 396.561 3 ↓

Analogs

6791552
6791552

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Popular Name: (2Z)-2-[(3-ethyl-1,3-benzothiazol-3-ium-2-yl)methylene]-3-phenyl-thiazolidin-4-one (2Z)-2-[(3-ethyl-1,3-benzothiazo…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80111-1-O CX-1 (cluster #1 Of 1), Other Other 2300 0.33 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) 1.01 12.07 -25.93 0 3 1 24 353.492 3 ↓

Analogs

31483950
31483950
31483952
31483952
4824262
4824262
8654277
8654277

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Popular Name: GNF-PF-2304 GNF-PF-2304

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Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z80110-1-O CV-1 (Kidney Cells) (cluster #1 Of 2), Other Other 1200 0.33 Functional ≤ 10μM
Z80111-1-O CX-1 (cluster #1 Of 1), Other Other 60 0.40 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) 2.52 14.43 -21.72 0 2 1 9 365.547 4 ↓

Parameters Provided:

annotation.name = Z80111
anotation.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 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 'Z80111' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=Z80111&filter.purchasability=purchasable

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