UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

42989679
42989679
42989681
42989681

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Popular Name: 3-[(1S)-1-[2-chloro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]ethoxy]-5-imidazo[1,2-a]pyridin- 3-[(1S)-1-[2-chloro-4-[[(3R)-3-h…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLK1-1-E Serine/threonine-protein Kinase PLK1 (cluster #1 Of 1), Eukaryotic Eukaryotes 20 0.32 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
PLK1_HUMAN P53350 Serine/threonine-protein Kinase PLK1, Human 20 0.32 Binding ≤ 1μM
PLK1_HUMAN P53350 Serine/threonine-protein Kinase PLK1, Human 20 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) 3.65 9.2 -48.55 4 7 1 94 498.028 7 ↓
Hi High (pH 8-9.5) 3.65 6.87 -17.27 3 7 0 93 497.02 7 ↓
Mid Mid (pH 6-8) 3.65 9.69 -85 5 7 2 96 499.036 7 ↓

Analogs

42989679
42989679
42989681
42989681

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-1-[2-chloro-4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]phenyl]ethoxy]-5-imidazo[1,2-a]pyridin- 3-[(1R)-1-[2-chloro-4-[[(3R)-3-h…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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) 3.65 9.19 -49.12 4 7 1 94 498.028 7 ↓
Hi High (pH 8-9.5) 3.65 6.86 -17.11 3 7 0 93 497.02 7 ↓
Mid Mid (pH 6-8) 3.65 9.68 -85.5 5 7 2 96 499.036 7 ↓

Parameters Provided:

ring.id = 168989
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 = 168989 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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