UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

5091174
5091174
5729377
5729377
37052608
37052608
37053076
37053076
37053079
37053079

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Popular Name: Sulfamethoxazole Sulfamethoxazole

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Vendors

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DYR-1-E Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic Eukaryotes 100 0.58 Binding ≤ 10μM
EDNRA-3-E Endothelin Receptor ET-A (cluster #3 Of 3), Eukaryotic Eukaryotes 4000 0.44 Binding ≤ 10μM
Q72874-3-V Human Immunodeficiency Virus Type 1 Protease (cluster #3 Of 3), Viral Viruses 577 0.51 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) 0.61 1.11 -55.19 2 6 -1 100 252.275 3 ↓
Lo Low (pH 4.5-6) 0.61 1.11 -14.38 3 6 0 98 253.283 3 ↓

Parameters Provided:

target.name = Q72874-3-V
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 'Q72874-3-V' 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=Q72874-3-V&target.type=B10&filter.purchasability=purchasable

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