UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (2-amino-6-chloro-pyrimidin-4-yl)-(3,4-dichlorophenyl)amine (2-amino-6-chloro-pyrimidin-4-yl…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PRIM-1-V DNA Helicase/primase Complex Protein (cluster #1 Of 1), Viral Viruses 8700 0.42 Binding ≤ 10μM
Z50530-3-O Human Herpesvirus 5 (cluster #3 Of 5), Other Other 9100 0.42 Functional ≤ 10μM
Z80942-1-O HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other Other 9100 0.42 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) 4.24 -3.21 -5.93 3 4 0 63 289.553 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-(3,4-dichlorophenyl)amino-pyrimidin-4-ol 2-amino-6-(3,4-dichlorophenyl)am…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PRIM-1-V DNA Helicase/primase Complex Protein (cluster #1 Of 1), Viral Viruses 850 0.50 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) 2.88 4.56 -20.17 4 5 0 84 271.107 2 ↓

Parameters Provided:

target.name = PRIM-1-V
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 'PRIM-1-V' 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=PRIM-1-V&target.type=B10&filter.purchasability=purchasable

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