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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4S,5S,6R)-2-[4-chloro-3-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)t (2R,3R,4S,5S,6R)-2-[4-chloro-3-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC5A2-1-E Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 103 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 103 0.32 Binding ≤ 1μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 103 0.32 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) 2.86 2.21 -19.09 4 7 0 116 462.955 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S,6R)-2-[4-chloro-3-[[5-(p-tolyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl]-6-(hydroxymethyl)t (2S,3R,4S,5S,6R)-2-[4-chloro-3-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC5A2-1-E Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 103 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 103 0.32 Binding ≤ 1μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 103 0.32 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) 2.86 0.89 -16.65 4 7 0 116 462.955 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4S,5S,6R)-2-[4-chloro-3-[[5-(4-propylphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl]-6-(hydroxym (2R,3R,4S,5S,6R)-2-[4-chloro-3-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC5A2-1-E Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 24.9 0.32 Binding ≤ 1μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 24.9 0.32 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) 3.71 3.75 -18.69 4 7 0 116 491.009 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S,3R,4S,5S,6R)-2-[4-chloro-3-[[5-(4-propylphenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl]-6-(hydroxym (2S,3R,4S,5S,6R)-2-[4-chloro-3-[…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC5A2-1-E Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 25 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 24.9 0.32 Binding ≤ 1μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 24.9 0.32 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) 3.71 2.43 -16.24 4 7 0 116 491.009 7 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4S,5S,6R)-2-[4-chloro-3-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]phenyl]-6-(hydroxymethyl)tetr (2R,3R,4S,5S,6R)-2-[4-chloro-3-[…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC5A2-1-E Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 17 0.36 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 16.6 0.36 Binding ≤ 1μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 16.6 0.36 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) 2.41 1.53 -19.36 4 7 0 116 448.928 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R,3R,4S,5S,6R)-2-[4-chloro-3-[[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]methyl]phenyl]-6-(hydroxym (2R,3R,4S,5S,6R)-2-[4-chloro-3-[…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
SC5A2-1-E Sodium/glucose Cotransporter 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 126 0.31 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 126 0.31 Binding ≤ 1μM
SC5A2_HUMAN P31639 Sodium/glucose Cotransporter 2, Human 126 0.31 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) 3.08 2.05 -18.12 4 7 0 116 483.373 5 ↓

Parameters Provided:

ring.id = 169324
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 = 169324 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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