UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[4-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-(trifluoromethyl)phenyl]-9-(3-quinolyl)benzo[h][1,6] 1-[4-[4-(cyclopropanecarbonyl)pi…

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 1 0.27 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 6.84 0.25 Binding ≤ 1μM
MTOR_MOUSE Q9JLN9 Serine/threonine-protein Kinase MTOR, Mouse 1 0.27 Binding ≤ 1μM
MTOR_HUMAN P42345 FK506 Binding Protein 12, Human 6.84 0.25 Binding ≤ 10μM
MTOR_MOUSE Q9JLN9 Serine/threonine-protein Kinase MTOR, Mouse 1 0.27 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) 6.83 16.35 -19.93 0 7 0 71 619.647 5 ↓

Parameters Provided:

ring.id = 366314
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 = 366314 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=366314&filter.purchasability=annotated

Embed Link to Results