UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-Amino-1-propanesulfonic acid 3-Amino-1-propanesulfonic acid

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And 29 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GABR1-3-E GABA-B Receptor 1 (cluster #3 Of 3), Eukaryotic Eukaryotes 2000 1.00 Binding ≤ 10μM
GABR2-3-E GABA-B Receptor 2 (cluster #3 Of 3), Eukaryotic Eukaryotes 2000 1.00 Binding ≤ 10μM
Z104301-8-O GABA-A Receptor; Anion Channel (cluster #8 Of 8), Other Other 300 1.14 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) -3.53 -3.56 -63.28 3 4 0 85 139.176 3 ↓

Analogs

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Popular Name: DNC014703 DNC014703

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GABR1-2-E GABA-B Receptor 1 (cluster #2 Of 3), Eukaryotic Eukaryotes 60 1.44 Binding ≤ 10μM
GABR2-2-E GABA-B Receptor 2 (cluster #2 Of 3), Eukaryotic Eukaryotes 60 1.44 Binding ≤ 10μM
GBRR1-3-E GABA Receptor Rho-1 Subunit (cluster #3 Of 4), Eukaryotic Eukaryotes 4600 1.07 Functional ≤ 10μM
Z104301-8-O GABA-A Receptor; Anion Channel (cluster #8 Of 8), Other Other 470 1.27 Binding ≤ 10μM
Z50512-7-O Cavia Porcellus (cluster #7 Of 7), Other Other 1700 1.15 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) -2.97 -7.63 -69.41 3 3 0 67 123.177 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC014703 DNC014703

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GABR1-2-E GABA-B Receptor 1 (cluster #2 Of 3), Eukaryotic Eukaryotes 60 1.44 Binding ≤ 10μM
GABR2-2-E GABA-B Receptor 2 (cluster #2 Of 3), Eukaryotic Eukaryotes 60 1.44 Binding ≤ 10μM
GBRR1-3-E GABA Receptor Rho-1 Subunit (cluster #3 Of 4), Eukaryotic Eukaryotes 4600 1.07 Functional ≤ 10μM
Z104301-8-O GABA-A Receptor; Anion Channel (cluster #8 Of 8), Other Other 470 1.27 Binding ≤ 10μM
Z50512-7-O Cavia Porcellus (cluster #7 Of 7), Other Other 1700 1.15 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) -2.97 -3.61 -55.12 4 3 1 65 124.185 3 ↓

Parameters Provided:

target.name = Z104301-8-O
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 'Z104301-8-O' 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=Z104301-8-O&target.type=B10&filter.purchasability=purchasable

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