UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Iromycin Iromycin

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100771-2-O Mitochondrial Complex I (cluster #2 Of 2), Other Other 461 0.40 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) 4.83 9.08 -47.52 1 3 -1 56 302.438 7 ↓
Mid Mid (pH 6-8) 5.29 -0.64 -9.18 2 3 0 53 303.446 7 ↓
Mid Mid (pH 6-8) 4.83 -0.64 -9.18 2 3 0 53 303.446 7 ↓

Analogs

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Popular Name: piericidin A piericidin A

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z100771-2-O Mitochondrial Complex I (cluster #2 Of 2), Other Other 5 0.39 Binding ≤ 10μM
Z81137-1-O L929 (Fibroblast Cells) (cluster #1 Of 2), Other Other 0 0.00 ADME/T ≤ 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) 4.83 7.55 -9.74 2 5 0 72 415.574 10 ↓

Parameters Provided:

target.name = Z100771-2-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 'Z100771-2-O' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z100771-2-O&target.type=B10&filter.purchasability=purchasable

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