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Popular Name: 1-(2,2-diphenylethyl)-3-[3-[4-[3-[[N-(2,2-diphenylethyl)carbamimidoyl]amino]propylamino]butylamino]p 1-(2,2-diphenylethyl)-3-[3-[4-[3…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
TYTR-2-E Trypanothione Reductase (cluster #2 Of 2), Eukaryotic Eukaryotes 4560 0.16 Binding ≤ 10μM
Z50420-6-O Trypanosoma Brucei Brucei (cluster #6 Of 7), Other Other 3350 0.16 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
TYTR_TRYCR P28593 Trypanothione Reductase, Trycr 4560 0.16 Binding ≤ 10μM
Z50420 Z50420 Trypanosoma Brucei Brucei 3350 0.16 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) 5.12 20.13 -250.04 12 8 4 133 650.96 25 ↓

Parameters Provided:

ring.id = 55576
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 = 55576 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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