UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

49708768
49708768

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Popular Name: geneticin geneticin

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50676-2-O Dengue Virus (cluster #2 Of 2), Other Other 6000 0.22 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) -5.17 -14.38 -297.31 17 14 4 258 500.59 6 ↓
Hi High (pH 8-9.5) -5.17 -16.74 -8.89 13 14 0 248 496.558 6 ↓
Hi High (pH 8-9.5) -5.17 -15.84 -52.16 14 14 1 250 497.566 6 ↓

Analogs

16952677
16952677
16953164
16953164
22057762
22057762
33689809
33689809
33689810
33689810

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Popular Name: CASTANOSPERMINE CASTANOSPERMINE

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Vendors

And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50676-2-O Dengue Virus (cluster #2 Of 2), Other Other 1000 0.65 Functional ≤ 10μM
Z80183-1-O JM1 (B-cell Leukemia Cells) (cluster #1 Of 1), Other Other 8800 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) -2.04 -6.53 -35 5 5 1 85 190.219 0 ↓
Hi High (pH 8-9.5) -2.04 -6.1 -45.15 4 5 0 88 189.211 0 ↓

Analogs

13840506
13840506
13840508
13840508
14140466
14140466

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Popular Name: N-Nonyldeoxynojirimycin N-Nonyldeoxynojirimycin

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
B5THE3-1-E Sucrase-isomaltase (cluster #1 Of 1), Eukaryotic Eukaryotes 400 0.45 Binding ≤ 10μM
CEGT-1-E Ceramide Glucosyltransferase (cluster #1 Of 1), Eukaryotic Eukaryotes 4000 0.38 Binding ≤ 10μM
GBA2-1-E Beta-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 7 0.57 Binding ≤ 10μM
GLCM-2-E Glucosylceramidase (cluster #2 Of 2), Eukaryotic Eukaryotes 660 0.43 Binding ≤ 10μM
LYAG-1-E Alpha-glucosidase (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.36 Binding ≤ 10μM
Z50641-1-O West Nile Virus (cluster #1 Of 2), Other Other 4000 0.38 Functional ≤ 10μM
Z50676-2-O Dengue Virus (cluster #2 Of 2), Other Other 1100 0.42 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) 1.81 -0.83 -36.18 5 5 1 85 290.424 9 ↓

Parameters Provided:

target.name = Z50676-2-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 'Z50676-2-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=Z50676-2-O&target.type=F10&filter.purchasability=purchasable

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