UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Amprolium Amprolium

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S19A2-1-E Thiamine Transporter 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 7600 0.40 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) -2.86 6.65 -31.15 2 4 1 56 243.334 4 ↓
Mid Mid (pH 6-8) -2.86 7.2 -87.24 3 4 2 57 244.342 4 ↓

Parameters Provided:

target.name = S19A2-1-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 'S19A2-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=S19A2-1-E&target.type=B10&filter.purchasability=purchasable

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