UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

32352
32352

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Popular Name: Enoxacin Enoxacin

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Vendors

And 18 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
VATB2-1-E V-type Proton ATPase Subunit B, Brain Isoform (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 0.30 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) -0.38 8.61 -95.06 2 7 0 95 320.324 3 ↓
Hi High (pH 8-9.5) -0.38 7.3 -57.43 1 7 -1 90 319.316 3 ↓
Lo Low (pH 4.5-6) -3.97 7.35 -79.58 3 7 1 98 321.332 2 ↓

Parameters Provided:

annotation.name = VATB2_HUMAN
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 'VATB2\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=VATB2_HUMAN&filter.purchasability=purchasable

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