UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CORILAGIN CORILAGIN

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERG1-1-E Squalene Monooxygenase (cluster #1 Of 3), Eukaryotic Eukaryotes 4000 0.17 Binding ≤ 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) 0.31 -16.38 -26.27 11 18 0 310 634.455 3 ↓

Analogs

4467397
4467397

Draw Identity 99% 90% 80% 70%

Popular Name: Terbinafine Hydrochloride Terbinafine Hydrochloride

Find On: PubMed — Wikipedia — Google

Vendors

And 51 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ERG1-1-E Squalene Monooxygenase (cluster #1 Of 3), Eukaryotic Eukaryotes 6000 0.33 Binding ≤ 10μM
Z102121-3-O Trichophyton Mentagrophytes (cluster #3 Of 3), Other Other 60 0.46 Functional ≤ 10μM
Z50046-2-O Trichophyton Quinckeanum (cluster #2 Of 2), Other Other 10 0.51 Functional ≤ 10μM
Z50274-2-O Aspergillus Flavus (cluster #2 Of 2), Other Other 300 0.42 Functional ≤ 10μM
Z50275-2-O Aspergillus Niger (cluster #2 Of 2), Other Other 700 0.39 Functional ≤ 10μM
Z50409-2-O Kluyveromyces Marxianus (cluster #2 Of 2), Other Other 6330 0.33 Functional ≤ 10μM
Z50416-1-O Aspergillus Fumigatus (cluster #1 Of 3), Other Other 1100 0.38 Functional ≤ 10μM
Z50436-1-O Filobasidiella Neoformans (cluster #1 Of 3), Other Other 500 0.40 Functional ≤ 10μM
Z50442-1-O Candida Albicans (cluster #1 Of 4), Other Other 5300 0.34 Functional ≤ 10μM
Z50444-1-O Candida Parapsilosis (cluster #1 Of 2), Other Other 400 0.41 Functional ≤ 10μM
Z50452-1-O Trichophyton Rubrum (cluster #1 Of 2), Other Other 70 0.46 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) 5.72 14.12 -41.75 1 1 1 4 292.446 4 ↓

Parameters Provided:

target.name = ERG1-1-E
target.type = B10
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 'ERG1-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=ERG1-1-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results