UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: Thiolactomycin Thiolactomycin

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAB2-1-B 3-oxoacyl-[acyl-carrier-protein] Synthase 2 (cluster #1 Of 1), Bacterial Bacteria 6000 0.52 Binding ≤ 10μM
FABH-1-B Beta-ketoacyl-ACP Synthase III (cluster #1 Of 2), Bacterial Bacteria 4000 0.54 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
Mid Mid (pH 6-8) 2.16 5.15 -35.23 0 2 -1 40 209.29 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Thiolactomycin Thiolactomycin

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAB2-1-B 3-oxoacyl-[acyl-carrier-protein] Synthase 2 (cluster #1 Of 1), Bacterial Bacteria 6000 0.52 Binding ≤ 10μM
FABH-1-B Beta-ketoacyl-ACP Synthase III (cluster #1 Of 2), Bacterial Bacteria 4000 0.54 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) 2.64 5.73 -4.6 0 2 0 34 210.298 2 ↓
Hi High (pH 8-9.5) 3.46 4.74 -34.91 0 2 -1 40 209.29 2 ↓
Mid Mid (pH 6-8) 2.64 5.59 -4.53 0 2 0 34 210.298 2 ↓

Parameters Provided:

annotation.name = FAB2_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 'FAB2\\_MYCTU' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=FAB2_MYCTU&filter.purchasability=purchasable

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