UCSF
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Analogs

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Popular Name: [(1S)-1-amino-2-phenyl-ethyl]-[(1S)-1-hydroxy-2-phenyl-ethyl]phosphinic [(1S)-1-amino-2-phenyl-ethyl]-[(…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPN-5-E Aminopeptidase N (cluster #5 Of 5), Eukaryotic Eukaryotes 550 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPN_HUMAN P15144 Aminopeptidase N, Human 550 0.42 Binding ≤ 1μM
AMPN_HUMAN P15144 Aminopeptidase N, Human 550 0.42 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) 1.71 3.64 -33.06 4 4 0 88 305.314 6 ↓

Analogs

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Popular Name: [(1R)-1-amino-2-phenyl-ethyl]-[(1S)-1-hydroxy-2-phenyl-ethyl]phosphinic [(1R)-1-amino-2-phenyl-ethyl]-[(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPN-5-E Aminopeptidase N (cluster #5 Of 5), Eukaryotic Eukaryotes 550 0.42 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPN_HUMAN P15144 Aminopeptidase N, Human 550 0.42 Binding ≤ 1μM
AMPN_HUMAN P15144 Aminopeptidase N, Human 550 0.42 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) 1.71 4.01 -32.27 4 4 0 88 305.314 6 ↓

Parameters Provided:

ring.id = 89688
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 = 89688 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=89688&filter.purchasability=annotated

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