UCSF
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Popular Name: 1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-9-(3-quinolyl)benzo[h][1,6]naphthyridin-2-one 1-[4-[(4-methylpiperazin-1-yl)me…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
MTOR-2-E Serine/threonine-protein Kinase MTOR (cluster #2 Of 3), Eukaryotic Eukaryotes 250 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 66 0.26 Binding ≤ 1μM
MTOR_MOUSE Q9JLN9 Serine/threonine-protein Kinase MTOR, Mouse 250 0.24 Binding ≤ 1μM
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 66 0.26 Binding ≤ 10μM
MTOR_MOUSE Q9JLN9 Serine/threonine-protein Kinase MTOR, Mouse 250 0.24 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) 5.30 13.44 -44.4 1 6 1 55 512.637 4 ↓
Hi High (pH 8-9.5) 5.30 11.06 -15.27 0 6 0 54 511.629 4 ↓

Parameters Provided:

ring.id = 369545
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 = 369545 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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