UCSF
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Analogs

55652159
55652159
55652162
55652162

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Popular Name: 3-[1-[[4-[(2S)-2-hydroxy-3-methyl-5-phenyl-1,2-dihydropyrazin-6-yl]phenyl]methyl]-4-piperidyl]-1H-be 3-[1-[[4-[(2S)-2-hydroxy-3-methy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AKT1-2-E RAC-alpha Serine/threonine-protein Kinase (cluster #2 Of 3), Eukaryotic Eukaryotes 1003 0.23 Binding ≤ 10μM
AKT2-2-E Serine/threonine-protein Kinase AKT2 (cluster #2 Of 2), Eukaryotic Eukaryotes 1179 0.22 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AKT1_HUMAN P31749 Serine/threonine-protein Kinase AKT, Human 1003 0.23 Binding ≤ 10μM
AKT2_HUMAN P31751 Serine/threonine-protein Kinase AKT2, Human 1179 0.22 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) 4.65 7.87 -80.79 4 7 1 95 494.619 5 ↓
Hi High (pH 8-9.5) 4.19 8.2 -29.93 3 7 0 93 493.611 5 ↓
Mid Mid (pH 6-8) 4.19 10.42 -72.22 4 7 1 94 494.619 5 ↓

Parameters Provided:

ring.id = 259547
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 = 259547 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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