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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

44265153
44265153
44265156
44265156
44265160
44265160
14300326
14300326

Draw Identity 99% 90% 80% 70%

Popular Name: difluoro-hydroxy-dimethyl-[(3R)-2-oxotetrahydrofuran-3-yl]sulfanyl-propyl-BLAHone difluoro-hydroxy-dimethyl-[(3R)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 6 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 6.4 0.32 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 6.4 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) 3.34 11.25 -14.59 1 6 0 82 526.642 4 ↓

Analogs

44265153
44265153
44265156
44265156
44265160
44265160
14300326
14300326

Draw Identity 99% 90% 80% 70%

Popular Name: difluoro-hydroxy-dimethyl-[(3R)-2-oxotetrahydrofuran-3-yl]sulfanyl-propyl-BLAHone difluoro-hydroxy-dimethyl-[(3R)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 6 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 6.4 0.32 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 6.4 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) 3.34 10.15 -17.18 1 6 0 82 526.642 4 ↓

Analogs

44265153
44265153
44265156
44265156
44265160
44265160
14300326
14300326

Draw Identity 99% 90% 80% 70%

Popular Name: difluoro-hydroxy-dimethyl-[(3R)-2-oxotetrahydrofuran-3-yl]sulfanyl-propyl-BLAHone difluoro-hydroxy-dimethyl-[(3R)-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
GCR-2-E Glucocorticoid Receptor (cluster #2 Of 2), Eukaryotic Eukaryotes 6 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 6.4 0.32 Binding ≤ 1μM
GCR_HUMAN P04150 Glucocorticoid Receptor, Human 6.4 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) 3.34 10.77 -16.22 1 6 0 82 526.642 4 ↓

Parameters Provided:

ring.id = 55577
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 = 55577 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=55577&filter.purchasability=annotated

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