UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,3-dihydro-1H-indol-1-yl)-2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-1-ethanone 1-(2,3-dihydro-1H-indol-1-yl)-2-…

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-3-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 58 0.33 Binding ≤ 10μM
DHI2-2-E 11-beta-hydroxysteroid Dehydrogenase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 8900 0.23 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) 5.00 12.68 -11.86 0 5 0 59 424.529 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[(4-chlorophenyl)thio]methyl]phenyl]-(4-methylpiperidino)methanone [4-[[(4-chlorophenyl)thio]methyl…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DHI1-1-E 11-beta-hydroxysteroid Dehydrogenase 1 (cluster #1 Of 3), Eukaryotic Eukaryotes 235 0.39 Binding ≤ 10μM
DHI2-2-E 11-beta-hydroxysteroid Dehydrogenase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 235 0.39 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

Parameters Provided:

target.name = DHI2-2-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 'DHI2-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=DHI2-2-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results