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Analogs

28761290
28761290

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Popular Name: (2S)-2-[[(2S)-2-benzyl-3-[[(1R)-1-(benzyloxycarbonylamino)-2-phenyl-ethyl]-hydroxy-phosphoryl]propan (2S)-2-[[(2S)-2-benzyl-3-[[(1R)-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ECE1-1-E Endothelin-converting Enzyme 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 4300 0.17 Binding ≤ 10μM
NEP-2-E Neprilysin (cluster #2 Of 2), Eukaryotic Eukaryotes 800 0.19 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
NEP_HUMAN P08473 Neprilysin, Human 800 0.19 Binding ≤ 1μM
ECE1_HUMAN P42892 Endothelin-converting Enzyme 1, Human 4300 0.17 Binding ≤ 10μM
NEP_HUMAN P08473 Neprilysin, Human 800 0.19 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) 0.84 12.38 -108.92 7 12 -1 211 636.666 19 ↓

Parameters Provided:

ring.id = 74279
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 = 74279 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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