UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Fosmidomycin Fosmidomycin

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DXR-2-B 1-deoxyxylulose-5-phosphate Reductoisomerase (cluster #2 Of 2), Bacterial Bacteria 21 0.98 Binding ≤ 10μM
Z50212-4-O Escherichia Coli (cluster #4 Of 7), Other Other 220 0.85 Functional ≤ 10μM
Z50425-5-O Plasmodium Falciparum (cluster #5 Of 22), Other Other 480 0.80 Functional ≤ 10μM
Z50426-2-O Plasmodium Falciparum (isolate K1 / Thailand) (cluster #2 Of 9), Other Other 3700 0.69 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) -1.58 -1.63 -45.27 2 6 -1 101 182.092 4 ↓

Analogs

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Popular Name: Imino-bis(methylphosphonic acid) Imino-bis(methylphosphonic acid)

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50212-4-O Escherichia Coli (cluster #4 Of 7), Other Other 580 0.79 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) -2.44 -2.59 -194.69 2 7 -3 143 202.019 4 ↓
Mid Mid (pH 6-8) -2.44 -3.7 -111.02 3 7 -2 140 203.027 4 ↓
Lo Low (pH 4.5-6) -2.44 -4.82 -44.14 4 7 -1 137 204.035 4 ↓

Parameters Provided:

target.name = Z50212-4-O
target.type = F10
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 'Z50212-4-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z50212-4-O&target.type=F10&filter.purchasability=purchasable

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