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Popular Name: 5-[[(1S,2S)-2-aminocyclohexyl]amino]-7-(3,5-dimethoxyanilino)-2-phenyl-imidazo[2,1-f]pyrimidine-8-ca 5-[[(1S,2S)-2-aminocyclohexyl]am…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
KSYK-1-E Tyrosine-protein Kinase SYK (cluster #1 Of 2), Eukaryotic Eukaryotes 28 0.29 Binding ≤ 10μM
ZAP70-1-E Tyrosine-protein Kinase ZAP-70 (cluster #1 Of 1), Eukaryotic Eukaryotes 41 0.28 Binding ≤ 10μM
Z100081-1-O PBMC (Peripheral Blood Mononuclear Cells) (cluster #1 Of 4), Other Other 200 0.25 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 28 0.29 Binding ≤ 1μM
ZAP70_HUMAN P43403 Tyrosine-protein Kinase ZAP-70, Human 41 0.28 Binding ≤ 1μM
KSYK_HUMAN P43405 Tyrosine-protein Kinase SYK, Human 28 0.29 Binding ≤ 10μM
ZAP70_HUMAN P43403 Tyrosine-protein Kinase ZAP-70, Human 41 0.28 Binding ≤ 10μM
Z100081 Z100081 PBMC (Peripheral Blood Mononuclear Cells) 200 0.25 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) 3.42 9.89 -66.73 7 10 1 143 502.599 8 ↓
Lo Low (pH 4.5-6) 3.42 10.25 -114.53 8 10 2 145 503.607 8 ↓

Parameters Provided:

ring.id = 168142
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 = 168142 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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