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Analogs

12503660
12503660
12503662
12503662

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Popular Name: N-[[(3R)-1-(AMINOIMINOMETHYL)-3-PIPERIDINYL]ACETYL]-4-(PHENYLETHYNYL)-L-PHENYLALANINE METHYL ESTER TRIFLUOROACETATE N-[[(3R)-1-(AMINOIMINOMETHYL)-3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
IL2-1-E Interleukin-2 (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.23 Binding ≤ 10μM
IL2RA-1-E Interleukin-2 Receptor Alpha Chain (cluster #1 Of 1), Eukaryotic Eukaryotes 6000 0.22 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) 2.65 13.26 -36.13 5 7 1 110 447.559 8 ↓
Ref Reference (pH 7) 2.84 11.39 -31.85 5 7 1 114 447.559 8 ↓

Parameters Provided:

target.name = IL2-1-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'IL2-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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