UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14253369
14253369

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Popular Name: DNC014811 DNC014811

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Vendors

    None

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOLB-3-E DNA Polymerase Beta (cluster #3 Of 3), Eukaryotic Eukaryotes 4300 0.17 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) 8.35 10.29 -16.3 5 7 0 127 582.693 12 ↓
Hi High (pH 8-9.5) 8.35 11.98 -117.38 3 7 -2 133 580.677 12 ↓
Mid Mid (pH 6-8) 8.35 11.02 -41.88 4 7 -1 130 581.685 12 ↓

Analogs

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Popular Name: 5-[(Z)-14-(3,5-dihydroxyphenyl)tetradec-10-enyl]benzene-1,3-diol 5-[(Z)-14-(3,5-dihydroxyphenyl)t…

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOLB-3-E DNA Polymerase Beta (cluster #3 Of 3), Eukaryotic Eukaryotes 7500 0.24 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) 7.46 7.4 -9.96 4 4 0 81 412.57 14 ↓

Analogs

14253372
14253372
14253375
14253375
14253379
14253379
44306243
44306243

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Popular Name: (+)-Myristinin A (+)-Myristinin A

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOLB-3-E DNA Polymerase Beta (cluster #3 Of 3), Eukaryotic Eukaryotes 2700 0.19 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) 8.58 8.79 -14.85 5 7 0 127 548.676 13 ↓

Parameters Provided:

target.name = DPOLB-3-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 'DPOLB-3-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=DPOLB-3-E&target.type=B10&filter.purchasability=purchasable

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