UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: DNC010963 DNC010963

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM2-2-E Methionine Aminopeptidase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 8000 0.48 Binding ≤ 10μM
AMPM-1-B Methionine Aminopeptidase (cluster #1 Of 3), Bacterial Bacteria 550 0.58 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) 1.30 3.02 -43.8 0 4 -1 53 195.205 1 ↓
Hi High (pH 8-9.5) 1.30 3.34 -9.09 1 4 0 54 196.213 1 ↓
Mid Mid (pH 6-8) 1.30 3.87 -29.49 2 4 1 56 197.221 1 ↓

Analogs

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Popular Name: 4-(p-Tolyl)-1H-1,2,3-triazole 4-(p-Tolyl)-1H-1,2,3-triazole

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 7100 0.60 Binding ≤ 10μM
AMPM2-2-E Methionine Aminopeptidase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 4 0.98 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) 1.91 3.8 -6.08 1 3 0 42 159.192 1 ↓

Analogs

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Popular Name: 2-pyridin-2-yl-1H-benzimidazol-6-amine 2-pyridin-2-yl-1H-benzimidazol-6…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM2-2-E Methionine Aminopeptidase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 9300 0.44 Binding ≤ 10μM
AMPM-1-B Methionine Aminopeptidase (cluster #1 Of 3), Bacterial Bacteria 967 0.53 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 3.1 -9.81 3 4 0 68 210.24 1 ↓

Analogs

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Popular Name: 8-Hydroxyquinoline 8-Hydroxyquinoline

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM2-2-E Methionine Aminopeptidase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 5600 0.67 Binding ≤ 10μM
Z101736-1-O Colletotrichum Coccodes (cluster #1 Of 1), Other Other 190 0.86 Functional ≤ 10μM
Z80136-1-O FM3A (Breast Carcinoma Cells) (cluster #1 Of 6), Other Other 2100 0.72 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) 1.68 2.1 -8.63 1 2 0 33 145.161 0 ↓
Hi High (pH 8-9.5) 1.68 2.86 -52.15 0 2 -1 36 144.153 0 ↓
Lo Low (pH 4.5-6) 1.68 2.58 -30.13 2 2 1 34 146.169 0 ↓

Analogs

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Popular Name: DNC010959 DNC010959

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM2-2-E Methionine Aminopeptidase 2 (cluster #2 Of 2), Eukaryotic Eukaryotes 7700 0.45 Binding ≤ 10μM
AMPM-1-B Methionine Aminopeptidase (cluster #1 Of 3), Bacterial Bacteria 2086 0.50 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) 2.82 5.89 -9.05 1 3 0 42 209.252 1 ↓

Parameters Provided:

target.name = AMPM2-2-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 'AMPM2-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?target.name=AMPM2-2-E&target.type=B10&filter.purchasability=purchasable

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