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

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6S,7R,8aS)-7'-[(2R)-1-methylpyrrolidin-2-yl]-7-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]in (1R,6S,7R,8aS)-7'-[(2R)-1-methyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 3000 0.19 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 3000 0.19 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) 5.91 15.19 -154.56 6 6 3 61 554.803 4 ↓
Hi High (pH 8-9.5) 5.91 12.15 -34.03 4 6 1 59 552.787 4 ↓
Mid Mid (pH 6-8) 5.91 14.23 -79.93 5 6 2 60 553.795 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,6S,7R,8aS)-7-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-6-vinyl-spiro[3,5 (1R,6S,7R,8aS)-7-[[(1S)-2-methyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 6000 0.21 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50425 Z50425 Plasmodium Falciparum 6000 0.21 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) 5.12 12 -97.11 5 5 2 57 470.661 3 ↓
Hi High (pH 8-9.5) 5.12 8.96 -6.09 3 5 0 55 468.645 3 ↓
Mid Mid (pH 6-8) 5.12 11.04 -38.12 4 5 1 56 469.653 3 ↓

Parameters Provided:

ring.id = 189206
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 = 189206 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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