UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4554508
4554508
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4554509
4554510
4554510
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1169
1169

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Popular Name: Potassium clavulanate Potassium clavulanate

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Vendors

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
A0ZX81-1-B Beta-lactamase (cluster #1 Of 1), Bacterial Bacteria 1720 0.58 Binding ≤ 10μM
A1E3K9-1-B Beta-lactamase SCO-1 (cluster #1 Of 1), Bacterial Bacteria 70 0.72 Binding ≤ 10μM
A4KCT8-1-B Gil1 (cluster #1 Of 1), Bacterial Bacteria 9 0.80 Binding ≤ 10μM
A8RR46-1-B Beta-lactamase (cluster #1 Of 1), Bacterial Bacteria 85 0.71 Binding ≤ 10μM
AMPC-5-B Beta-lactamase (cluster #5 Of 6), Bacterial Bacteria 800 0.61 Binding ≤ 10μM
BLA1-1-B Beta-lactamase L1 (cluster #1 Of 3), Bacterial Bacteria 170 0.68 Binding ≤ 10μM
BLAC-1-B Beta-lactamase (cluster #1 Of 1), Bacterial Bacteria 80 0.71 Binding ≤ 10μM
BLAT-3-B Beta-lactamase TEM (cluster #3 Of 4), Bacterial Bacteria 800 0.61 Binding ≤ 10μM
BLO1-1-B Beta-lactamase OXA-1 (cluster #1 Of 1), Bacterial Bacteria 3200 0.55 Binding ≤ 10μM
D1MIX9-1-B Beta-lactamase GES-13 (cluster #1 Of 1), Bacterial Bacteria 100 0.70 Binding ≤ 10μM
Q2XPY6-1-B Extended-spectrum Beta-lactamase CTX-M-53 (cluster #1 Of 1), Bacterial Bacteria 10 0.80 Binding ≤ 10μM
Q4TVR4-1-B Beta-lactamase SHV-55 (cluster #1 Of 1), Bacterial Bacteria 20 0.77 Binding ≤ 10μM
Q50H31-1-B Class D Beta-lactamase (cluster #1 Of 1), Bacterial Bacteria 2000 0.57 Binding ≤ 10μM
Q6GWS8-1-B Beta-lactamase TEM-125 (cluster #1 Of 1), Bacterial Bacteria 8600 0.51 Binding ≤ 10μM
Q9EXV5-1-B Beta-lactamase (cluster #1 Of 1), Bacterial Bacteria 9 0.80 Binding ≤ 10μM
BLAT-1-B Beta-lactamase TEM (cluster #1 Of 1), Bacterial Bacteria 60 0.72 Functional ≤ 10μM
Z50212-1-O Escherichia Coli (cluster #1 Of 7), Other Other 40 0.74 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) -2.42 -3.38 -49.41 1 6 -1 90 198.154 2 ↓

Parameters Provided:

target.name = BLO1-1-B
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 'BLO1-1-B' 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=BLO1-1-B&target.type=B10&filter.purchasability=purchasable

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