UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

39119522
39119522
39119531
39119531
39119545
39119545

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Popular Name: 4H-1-Benzopyran-4-one, 6-amino-5,7-dihydroxy-2-phenyl- (9CI) 4H-1-Benzopyran-4-one, 6-amino-5…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SUIS-3-E Sucrase-isomaltase (cluster #3 Of 3), Eukaryotic Eukaryotes 4 0.59 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) 2.61 2.68 -20.28 4 5 0 97 269.256 1 ↓
Hi High (pH 8-9.5) 2.61 3.32 -57.45 3 5 -1 100 268.248 1 ↓
Hi High (pH 8-9.5) 2.61 3.13 -47.99 3 5 -1 100 268.248 1 ↓

Analogs

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Popular Name: 2-Aminoresorcinol 2-Aminoresorcinol

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Vendors

And 36 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SUIS-3-E Sucrase-isomaltase (cluster #3 Of 3), Eukaryotic Eukaryotes 9 1.25 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) 0.89 -3.13 -5.09 4 3 0 66 125.127 0 ↓

Parameters Provided:

target.name = SUIS-3-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 'SUIS-3-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=SUIS-3-E&target.type=B10&filter.purchasability=purchasable

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