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Popular Name: 1-[(2R,4S,5S)-4-(4-benzyltriazol-1-yl)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methyl-pyrimidine-2, 1-[(2R,4S,5S)-4-(4-benzyltriazol…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
DNK-1-E Deoxynucleoside Kinase (cluster #1 Of 1), Eukaryotic Eukaryotes 3900 0.27 Binding ≤ 10μM
KITM-1-E Thymidine Kinase, Mitochondrial (cluster #1 Of 1), Eukaryotic Eukaryotes 300 0.33 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KITM_HUMAN O00142 Thymidine Kinase, Mitochondrial, Human 300 0.33 Binding ≤ 1μM
DNK_DROME Q9XZT6 Deoxynucleoside Kinase, Drome 3900 0.27 Binding ≤ 10μM
KITM_HUMAN O00142 Thymidine Kinase, Mitochondrial, Human 300 0.33 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) 0.94 3.38 -25.6 2 9 0 115 383.408 5 ↓

Parameters Provided:

ring.id = 543691
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 = 543691 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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