UCSF
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Popular Name: 2-(4-chlorophenyl)-4-[[(3S)-pyrrolidin-3-yl]amino]thieno[3,2-c]pyridine-7-carboxamide 2-(4-chlorophenyl)-4-[[(3S)-pyrr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CHK1-1-E Serine/threonine-protein Kinase Chk1 (cluster #1 Of 2), Eukaryotic Eukaryotes 14 0.44 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
CHK1_HUMAN O14757 Serine/threonine-protein Kinase Chk1, Human 14 0.44 Binding ≤ 1μM
CHK1_HUMAN O14757 Serine/threonine-protein Kinase Chk1, Human 14 0.44 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) 3.09 5.65 -59.07 5 5 1 85 373.889 4 ↓
Hi High (pH 8-9.5) 3.09 4.2 -12.77 4 5 0 80 372.881 4 ↓
Lo Low (pH 4.5-6) 3.09 5.96 -121.95 6 5 2 86 374.897 4 ↓

Parameters Provided:

ring.id = 370242
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 = 370242 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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