UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3953934
3953934

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Popular Name: 1-amino-2-phenylethylphosphonic acid; 6324-00-1; nsc30080 1-amino-2-phenylethylphosphonic …

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 420 0.69 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) 0.24 1.42 -76.97 3 4 -1 91 200.154 3 ↓

Analogs

1656226
1656226

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Popular Name: 1-amino-2-phenylethylphosphonic acid; 6324-00-1; nsc30080 1-amino-2-phenylethylphosphonic …

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 420 0.69 Binding ≤ 10μM
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 420 0.69 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) 0.24 1.46 -75.08 3 4 -1 91 200.154 3 ↓
Mid Mid (pH 6-8) 0.24 0.34 -34.31 4 4 0 88 201.162 3 ↓

Analogs

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Popular Name: AMASTATIN AMASTATIN

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And 4 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPE-1-E Aminopeptidase A (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 0.22 Binding ≤ 10μM
AMPL-1-E Leucine Aminopeptidase (cluster #1 Of 2), Eukaryotic Eukaryotes 30 0.32 Binding ≤ 10μM
AMPN-2-E Aminopeptidase N (cluster #2 Of 5), Eukaryotic Eukaryotes 200 0.28 Binding ≤ 10μM
LCAP-1-E Cystinyl Aminopeptidase (cluster #1 Of 1), Eukaryotic Eukaryotes 220 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) -2.99 -6.99 -129.12 7 12 -1 215 473.547 14 ↓

Analogs

2146774
2146774

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Popular Name: (1-Aminopropyl)phosphonic acid (1-Aminopropyl)phosphonic acid

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And 5 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 3600 0.95 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) -0.68 -1.47 -75.29 3 4 -1 91 138.083 2 ↓

Analogs

1720912
1720912

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Popular Name: (1-Aminopropyl)phosphonic acid (1-Aminopropyl)phosphonic acid

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And 4 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 3600 0.95 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) -0.68 -1.47 -75.3 3 4 -1 91 138.083 2 ↓

Analogs

1558987
1558987
2545165
2545165
7996813
7996813
11592554
11592554
11592555
11592555

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Popular Name: Bestatin Bestatin

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And 30 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMP1-1-E Zinc Aminopeptidase (cluster #1 Of 1), Eukaryotic Eukaryotes 284 0.42 Binding ≤ 10μM
AMPB-1-E Aminopeptidase B (cluster #1 Of 2), Eukaryotic Eukaryotes 6000 0.33 Binding ≤ 10μM
AMPL-1-E Leucine Aminopeptidase (cluster #1 Of 2), Eukaryotic Eukaryotes 20 0.49 Binding ≤ 10μM
AMPN-2-E Aminopeptidase N (cluster #2 Of 5), Eukaryotic Eukaryotes 8500 0.32 Binding ≤ 10μM
LCAP-1-E Cystinyl Aminopeptidase (cluster #1 Of 1), Eukaryotic Eukaryotes 4400 0.34 Binding ≤ 10μM
LKHA4-1-E Leukotriene A4 Hydrolase (cluster #1 Of 2), Eukaryotic Eukaryotes 500 0.40 Binding ≤ 10μM
MMP2-1-E 72 KDa Type IV Collagenase (cluster #1 Of 3), Eukaryotic Eukaryotes 9500 0.32 Binding ≤ 10μM
Z50425-3-O Plasmodium Falciparum (cluster #3 Of 22), Other Other 8000 0.32 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) -1.13 4.6 -51.22 5 6 0 117 308.378 8 ↓
Hi High (pH 8-9.5) -1.13 5.09 -64.81 4 6 -1 120 307.37 8 ↓
Mid Mid (pH 6-8) -1.13 4.31 -49.61 4 6 -1 115 307.37 8 ↓

Analogs

1707645
1707645

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Popular Name: Leucine Phosphonic Acid Leucine Phosphonic Acid

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And 1 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 230 0.93 Binding ≤ 10μM
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 230 0.93 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) 0.09 -0.07 -76.33 3 4 -1 91 166.137 3 ↓

Analogs

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Popular Name: DNC014304 DNC014304

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 1000 0.76 Binding ≤ 10μM
AMPN-5-E Aminopeptidase N (cluster #5 Of 5), Eukaryotic Eukaryotes 8300 0.65 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 0.86 -75.41 3 4 -1 91 180.164 5 ↓

Analogs

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Popular Name: DNC014304 DNC014304

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 1000 0.76 Binding ≤ 10μM
AMPN-5-E Aminopeptidase N (cluster #5 Of 5), Eukaryotic Eukaryotes 8300 0.65 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 0.86 -75.42 3 4 -1 91 180.164 5 ↓

Analogs

2569589
2569589
2573155
2573155
3304896
3304896

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Popular Name: (1-Amino-2-methylpropyl)phosphonic acid (1-Amino-2-methylpropyl)phosphon…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 1200 0.92 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) -0.44 -0.77 -75.75 3 4 -1 91 152.11 2 ↓

Analogs

1707644
1707644

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Popular Name: (1-Amino-2-methylpropyl)phosphonic acid (1-Amino-2-methylpropyl)phosphon…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 1200 0.92 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) -0.44 -0.76 -75.86 3 4 -1 91 152.11 2 ↓

Analogs

2047807
2047807

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Popular Name: (1-Amino-3-methylbutyl)phosphonic acid (1-Amino-3-methylbutyl)phosphoni…

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And 2 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPL-2-E Leucine Aminopeptidase (cluster #2 Of 2), Eukaryotic Eukaryotes 230 0.93 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) 0.09 -0.19 -74.67 3 4 -1 91 166.137 3 ↓

Parameters Provided:

annotation.name = AMPL_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'AMPL\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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