UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-methoxy-1-[4-[4-[[6-(3-quinolyl)-4-quinolyl]amino]-2-(trifluoromethyl)phenyl]piperazin-1-yl]propan 3-methoxy-1-[4-[4-[[6-(3-quinoly…

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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 966 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 966 0.20 Binding ≤ 1μM
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 966 0.20 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) 6.48 14.18 -46.27 2 7 1 72 586.638 8 ↓
Hi High (pH 8-9.5) 6.48 13.73 -18.11 1 7 0 71 585.63 8 ↓

Analogs

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Popular Name: 3-(dimethylamino)-1-[4-[4-[[6-(3-quinolyl)-4-quinolyl]amino]-2-(trifluoromethyl)phenyl]piperazin-1-y 3-(dimethylamino)-1-[4-[4-[[6-(3…

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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 3810 0.17 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 3810 0.17 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) 6.53 16.38 -87.55 3 7 2 67 600.689 8 ↓
Hi High (pH 8-9.5) 6.53 15.94 -52.28 2 7 1 66 599.681 8 ↓

Analogs

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Popular Name: 4-[4-[[6-(3-quinolyl)-4-quinolyl]amino]-2-(trifluoromethyl)phenyl]piperazine-1-carboxylic 4-[4-[[6-(3-quinolyl)-4-quinolyl…

Find On: PubMed — Wikipedia — Google

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 1700 0.20 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 1700 0.20 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) 6.14 14.01 -81.24 2 7 0 86 543.549 5 ↓
Hi High (pH 8-9.5) 6.14 13.57 -57.35 1 7 -1 84 542.541 5 ↓
Lo Low (pH 4.5-6) 6.14 12.1 -50.16 3 7 1 83 544.557 5 ↓

Parameters Provided:

ring.id = 366462
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 = 366462 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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