UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: [1-[2-[(2R)-2-hydroxymorpholin-4-yl]ethyl]-2-methyl-indol-3-yl]-(1-naphthyl)methanone [1-[2-[(2R)-2-hydroxymorpholin-4…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PTGDS-1-E Prostaglandin-H2 D-isomerase (cluster #1 Of 1), Eukaryotic Eukaryotes 570 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PTGDS_MOUSE O09114 Prostaglandin-H2 D-isomerase, Mouse 570 0.28 Binding ≤ 1μM
PTGDS_MOUSE O09114 Prostaglandin-H2 D-isomerase, Mouse 570 0.28 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) 4.21 9.66 -14.97 1 5 0 55 414.505 5 ↓

Analogs

26484952
26484952

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Popular Name: [1-[(1S)-1-methyl-2-[(2S)-2-methylmorpholin-4-yl]ethyl]indol-3-yl]-(1-naphthyl)methanone [1-[(1S)-1-methyl-2-[(2S)-2-meth…

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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) 5.37 12.9 -12.78 0 4 0 34 412.533 5 ↓
Mid Mid (pH 6-8) 5.37 15.14 -51.1 1 4 1 36 413.541 5 ↓

Parameters Provided:

ring.id = 62173
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 = 62173 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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