UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-Hydroxy-propyl)-7-methyl-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylicacid4-chloro-benzylamide 2-(3-Hydroxy-propyl)-7-methyl-4-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOL-4-V Human Herpesvirus 6 DNA Polymerase (cluster #4 Of 4), Viral Viruses 460 0.34 Binding ≤ 10μM
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 600 0.34 Functional ≤ 10μM
Z80583-1-O Vero (Kidney Cells) (cluster #1 Of 7), Other Other 3000 0.30 Functional ≤ 10μM
Z80954-1-O HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other Other 90 0.38 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) 2.80 -2.66 -29.41 2 5 0 71 390.892 6 ↓

Analogs

43943102
43943102

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Popular Name: APHIDICOLIN APHIDICOLIN

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And 6 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOLA-2-E DNA Polymerase Alpha Subunit (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 0.32 Binding ≤ 10μM
DPOL-2-V Human Herpesvirus 6 DNA Polymerase (cluster #2 Of 4), Viral Viruses 400 0.37 Binding ≤ 10μM
Z50602-2-O Human Herpesvirus 1 (cluster #2 Of 2), Other Other 438 0.37 Binding ≤ 10μM
Z50602-3-O Human Herpesvirus 1 (cluster #3 Of 5), Other Other 590 0.36 Functional ≤ 10μM
Z80583-2-O Vero (Kidney Cells) (cluster #2 Of 3), Other Other 580 0.36 ADME/T ≤ 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) 1.85 -1.19 -5.53 4 4 0 81 338.488 2 ↓

Analogs

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Popular Name: 7-Methyl-2-morpholin-4-ylmethyl-4-oxo-4,7-dihydro-thieno[2,3-b]pyridine-5-carboxylicacid4-chloro-benzylamide 7-Methyl-2-morpholin-4-ylmethyl-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOL-4-V Human Herpesvirus 6 DNA Polymerase (cluster #4 Of 4), Viral Viruses 770 0.30 Binding ≤ 10μM
Z80583-1-O Vero (Kidney Cells) (cluster #1 Of 7), Other Other 800 0.29 Functional ≤ 10μM
Z80954-1-O HFF (Foreskin Fibroblasts) (cluster #1 Of 4), Other Other 800 0.29 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) 2.63 8.29 -30.4 1 6 0 64 431.945 5 ↓

Analogs

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Popular Name: Foscarnet sodium Foscarnet sodium

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And 4 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DPOL-3-V Human Herpesvirus 6 DNA Polymerase (cluster #3 Of 4), Viral Viruses 280 1.31 Binding ≤ 10μM
Q72547-6-V Human Immunodeficiency Virus Type 1 Reverse Transcriptase (cluster #6 Of 6), Viral Viruses 2030 1.14 Binding ≤ 10μM
Z50613-1-O Avian Myeloblastosis Virus (cluster #1 Of 1), Other Other 9310 1.01 Binding ≤ 10μM
Z50530-5-O Human Herpesvirus 5 (cluster #5 Of 5), Other Other 7000 1.03 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) -1.71 -2.5 -120.9 1 5 -2 100 123.988 1 ↓

Parameters Provided:

annotation.name = DPOL_HCMVA
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'DPOL\\_HCMVA' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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