UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Glutaric acid Glutaric acid

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S22A6-2-E Solute Carrier Family 22 Member 6 (cluster #2 Of 3), Eukaryotic Eukaryotes 6761 0.80 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) -0.15 2.5 -104.02 0 4 -2 80 130.099 4 ↓

Analogs

1529230
1529230

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Popular Name: Adipic acid Adipic acid

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S22A6-2-E Solute Carrier Family 22 Member 6 (cluster #2 Of 3), Eukaryotic Eukaryotes 410 0.89 Binding ≤ 10μM
Z80583-4-O Vero (Kidney Cells) (cluster #4 Of 7), Other Other 0 0.00 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) 0.36 5.1 -96.25 0 4 -2 80 144.126 5 ↓
Lo Low (pH 4.5-6) 0.36 3.13 -45.87 1 4 -1 77 145.134 5 ↓

Parameters Provided:

target.name = S22A6-2-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 'S22A6-2-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=S22A6-2-E&target.type=B10&filter.purchasability=purchasable

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