UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

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Popular Name: Isoniazid Isoniazid

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CP2CJ-1-E Cytochrome P450 2C19 (cluster #1 Of 3), Eukaryotic Eukaryotes 10000 0.70 ADME/T ≤ 10μM
DYR-3-B Dihydrofolate Reductase (cluster #3 Of 4), Bacterial Bacteria 1 1.26 Binding ≤ 10μM
Z50309-1-O Mycobacterium Tuberculosis (cluster #1 Of 1), Other Other 300 0.91 Functional ≤ 10μM
Z50380-1-O Mycobacterium Smegmatis (cluster #1 Of 4), Other Other 7800 0.72 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) -0.97 -0.4 -10.32 3 4 0 68 137.142 1 ↓

Parameters Provided:

annotation.name = DYR_MYCTU
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'DYR\\_MYCTU' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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