UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

4245675
4245675

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Popular Name: Novobiocin Novobiocin

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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
GYRA-1-B DNA Gyrase Subunit A (cluster #1 Of 1), Bacterial Bacteria 100 0.22 Binding ≤ 10μM
GYRB-1-B DNA Gyrase Subunit B (cluster #1 Of 1), Bacterial Bacteria 200 0.21 Binding ≤ 10μM
Q7X1P7-1-B ParE (cluster #1 Of 1), Bacterial Bacteria 2030 0.18 Binding ≤ 10μM
Z50185-3-O Staphylococcus Aureus (cluster #3 Of 4), Other Other 125 0.22 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) 3.93 4.17 -59.66 5 13 -1 203 611.624 9 ↓
Lo Low (pH 4.5-6) 3.93 3.05 -27.62 6 13 0 200 612.632 9 ↓
Lo Low (pH 4.5-6) 3.93 3.81 -30.74 6 13 0 200 612.632 9 ↓

Parameters Provided:

target.name = Q7X1P7-1-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 'Q7X1P7-1-B' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Q7X1P7-1-B&target.type=B10&filter.purchasability=purchasable

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