UCSF
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Analogs

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Popular Name: (5R,6Z)-6-(6,8-dihydro-5H-imidazo[2,3-c][1,4]oxazin-3-ylmethylene)-7-oxo-4-thia-1-azabicyclo[3.2.0]h (5R,6Z)-6-(6,8-dihydro-5H-imidaz…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
LACTB-1-E Serine Beta-lactamase-like Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 66 0.48 Binding ≤ 10μM
AMPC-5-B Beta-lactamase (cluster #5 Of 6), Bacterial Bacteria 5 0.55 Binding ≤ 10μM
BLAT-3-B Beta-lactamase TEM (cluster #3 Of 4), Bacterial Bacteria 0 0.00 Binding ≤ 10μM
Q46991-1-B IMI-1 (cluster #1 Of 1), Bacterial Bacteria 8 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) -0.26 2.61 -61.64 0 7 -1 87 304.307 2 ↓

Parameters Provided:

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

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//zinc12.docking.org/results/combination?target.name=LACTB-1-E&target.type=B10&filter.purchasability=purchasable

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