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Analogs

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Popular Name: (2S,3R,5S)-5-[6-amino-2-(3,5-dichloroanilino)purin-9-yl]-2-methylol-tetrahydrofuran-3-ol (2S,3R,5S)-5-[6-amino-2-(3,5-dic…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 8600 0.26 Functional ≤ 10μM
Z80942-1-O HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other Other 8600 0.26 Functional ≤ 10μM
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 400 0.33 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80942 Z80942 HEL (Embryonic Lung Cells) 500 0.33 Functional ≤ 10μM
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 400 0.33 Functional ≤ 10μM
Z50530 Z50530 Human Herpesvirus 5 8600 0.26 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) 2.70 3.29 -11.84 5 9 0 131 411.249 4 ↓

Analogs

5822701
5822701
5822702
5822702
5822703
5822703
5833718
5833718
5833724
5833724

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,5S)-5-[6-chloro-2-(3,5-dichloroanilino)purin-9-yl]-2-methylol-tetrahydrofuran-3-ol (2S,3R,5S)-5-[6-chloro-2-(3,5-di…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50530-1-O Human Herpesvirus 5 (cluster #1 Of 5), Other Other 7900 0.26 Functional ≤ 10μM
Z80942-1-O HEL (Embryonic Lung Cells) (cluster #1 Of 2), Other Other 7900 0.26 Functional ≤ 10μM
Z81247-1-O HeLa (Cervical Adenocarcinoma Cells) (cluster #1 Of 9), Other Other 2700 0.29 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z80942 Z80942 HEL (Embryonic Lung Cells) 3400 0.28 Functional ≤ 10μM
Z81247 Z81247 HeLa (Cervical Adenocarcinoma Cells) 2700 0.29 Functional ≤ 10μM
Z50530 Z50530 Human Herpesvirus 5 7900 0.26 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) 3.09 4.93 -11.57 3 8 0 105 430.679 4 ↓

Parameters Provided:

ring.id = 244959
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 244959 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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