UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: eosin YS dye eosin YS dye

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ANM1-1-E Protein-arginine N-methyltransferase 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 1400 0.28 Binding ≤ 10μM
S22A6-3-E Solute Carrier Family 22 Member 6 (cluster #3 Of 3), Eukaryotic Eukaryotes 90 0.34 Binding ≤ 10μM
S22AK-2-E Solute Carrier Family 22 Member 20 (cluster #2 Of 2), Eukaryotic Eukaryotes 4400 0.26 Binding ≤ 10μM
Q5VLE3-2-F RmtA (cluster #2 Of 2), Fungal Fungi 180 0.33 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) 7.13 10.39 -94.2 0 5 -2 93 645.879 2 ↓
Mid Mid (pH 6-8) 7.13 10.41 -51.76 1 5 -1 91 646.887 2 ↓

Analogs

37094556
37094556

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Popular Name: Probenecid Probenecid

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
S22A6-1-E Solute Carrier Family 22 Member 6 (cluster #1 Of 3), Eukaryotic Eukaryotes 6400 0.38 Binding ≤ 10μM
S22AK-2-E Solute Carrier Family 22 Member 20 (cluster #2 Of 2), Eukaryotic Eukaryotes 8511 0.37 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) 2.92 6.29 -47.89 0 5 -1 78 284.357 7 ↓

Parameters Provided:

target.name = S22AK-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 'S22AK-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=S22AK-2-E&target.type=B10&filter.purchasability=purchasable

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