UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

34874421
34874421
34874424
34874424
3952031
3952031

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Popular Name: Apstatin Apstatin

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-1-E Leucine Aminopeptidase (cluster #1 Of 2), Eukaryotic Eukaryotes 300 0.28 Binding ≤ 10μM
PEPD-2-E Xaa-Pro Dipeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 4900 0.23 Binding ≤ 10μM
Q99MA2-1-E Xaa-Pro Aminopeptidase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 4100 0.23 Binding ≤ 10μM
XPP1-1-E Xaa-Pro Aminopeptidase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 9400 0.21 Binding ≤ 10μM
XPP2-1-E Xaa-Pro Aminopeptidase 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 9400 0.21 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPL_HUMAN P28838 Leucine Aminopeptidase, Human 300 0.28 Binding ≤ 1μM
AMPL_HUMAN P28838 Leucine Aminopeptidase, Human 300 0.28 Binding ≤ 10μM
XPP1_HUMAN Q9NQW7 Xaa-Pro Aminopeptidase 1, Human 9000 0.21 Binding ≤ 10μM
XPP2_HUMAN O43895 Xaa-Pro Aminopeptidase 2, Human 2900 0.23 Binding ≤ 10μM
Q99MA2_RAT Q99MA2 Xaa-Pro Aminopeptidase 2, Rat 4100 0.23 Binding ≤ 10μM
PEPD_HUMAN P12955 Xaa-Pro Dipeptidase, Human 4900 0.23 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) -1.45 2.49 -47.67 7 10 1 161 460.555 8 ↓

Analogs

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Popular Name: (2S)-1-[(2S,4R)-1-[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]-4-hydroxy-pyrrolidine-2-carbonyl]-N- (2S)-1-[(2S,4R)-1-[(2S,3R)-3-ami…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-1-E Leucine Aminopeptidase (cluster #1 Of 2), Eukaryotic Eukaryotes 1600 0.24 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPL_HUMAN P28838 Leucine Aminopeptidase, Human 1600 0.24 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) -2.37 -0.94 -49.27 8 11 1 181 476.554 8 ↓

Analogs

34874421
34874421
34874424
34874424
3952031
3952031

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[(2S)-1-[(2S,3R)-3-amino-2-hydroxy-4-phenyl-butanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-car (2S)-1-[(2S)-1-[(2S,3R)-3-amino-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-1-E Leucine Aminopeptidase (cluster #1 Of 2), Eukaryotic Eukaryotes 2500 0.28 Binding ≤ 10μM
PEPD-2-E Xaa-Pro Dipeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 2200 0.28 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
AMPL_HUMAN P28838 Leucine Aminopeptidase, Human 2500 0.28 Binding ≤ 10μM
PEPD_HUMAN P12955 Xaa-Pro Dipeptidase, Human 2200 0.28 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) -0.89 3.4 -44.97 6 8 1 132 389.476 6 ↓

Parameters Provided:

ring.id = 228423
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 = 228423 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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