UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-thiazol-2-ylthiazole-4-carboxamide N-thiazol-2-ylthiazole-4-carboxa…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM-2-B Methionine Aminopeptidase (cluster #2 Of 3), Bacterial Bacteria 110 0.75 Binding ≤ 10μM
AMPM1-1-F Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal Fungi 2260 0.61 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) 1.05 2.25 -13.43 1 4 0 55 211.271 2 ↓
Hi High (pH 8-9.5) 1.12 1.06 -47.25 0 4 -1 61 210.263 2 ↓

Analogs

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Popular Name: 4-amino-N-thiazol-2-yl-pyridine-2-carboxamide 4-amino-N-thiazol-2-yl-pyridine-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM-2-B Methionine Aminopeptidase (cluster #2 Of 3), Bacterial Bacteria 6710 0.48 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) 1.05 1.18 -29.64 4 5 1 85 221.265 1 ↓
Hi High (pH 8-9.5) 0.19 0.77 -35.83 3 5 0 88 220.257 2 ↓
Hi High (pH 8-9.5) 0.19 0.11 -50.41 2 5 -1 87 219.249 2 ↓

Analogs

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Popular Name: 3-hydroxy-N-1,3-thiazol-2-ylpyridine-2-carboxamide 3-hydroxy-N-1,3-thiazol-2-ylpyri…

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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
AMPM-2-B Methionine Aminopeptidase (cluster #2 Of 3), Bacterial Bacteria 1870 0.53 Binding ≤ 10μM
AMPM1-1-F Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal Fungi 4860 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) 0.83 2.85 -56.8 1 5 -1 78 220.233 2 ↓
Hi High (pH 8-9.5) 0.90 0.59 -13.58 2 5 0 83 221.241 2 ↓
Mid Mid (pH 6-8) 0.83 3.32 -47.36 2 5 0 79 221.241 2 ↓

Analogs

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Popular Name: 5-amino-N-thiazol-2-yl-pyridine-2-carboxamide 5-amino-N-thiazol-2-yl-pyridine-…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM-2-B Methionine Aminopeptidase (cluster #2 Of 3), Bacterial Bacteria 2090 0.53 Binding ≤ 10μM
AMPM1-1-F Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal Fungi 2430 0.52 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) 0.37 1.29 -16.07 3 5 0 81 220.257 2 ↓
Hi High (pH 8-9.5) 0.43 0.1 -52.56 2 5 -1 87 219.249 2 ↓

Analogs

36756805
36756805
36756893
36756893

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Popular Name: 6-(thiazol-2-ylcarbamoyl)pyridine-2-carboxylic 6-(thiazol-2-ylcarbamoyl)pyridin…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM-2-B Methionine Aminopeptidase (cluster #2 Of 3), Bacterial Bacteria 5820 0.43 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) 0.36 3.04 -50.71 1 6 -1 95 248.243 3 ↓
Hi High (pH 8-9.5) 0.42 1.84 -112.7 0 6 -2 101 247.235 3 ↓

Analogs

24258146
24258146

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Popular Name: N-thiazol-2-ylpicolinamide N-thiazol-2-ylpicolinamide

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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
AMPM1-2-E Methionine Aminopeptidase 1 (cluster #2 Of 2), Eukaryotic Eukaryotes 8100 0.51 Binding ≤ 10μM
CTR4-1-E Cationic Amino Acid Transporter 4 (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 0.52 Binding ≤ 10μM
AMPM-2-B Methionine Aminopeptidase (cluster #2 Of 3), Bacterial Bacteria 5000 0.53 Binding ≤ 10μM
AMPM1-1-F Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal Fungi 7000 0.52 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) 0.71 3.35 -12.95 1 4 0 55 205.242 2 ↓
Hi High (pH 8-9.5) 0.78 1.79 -52 0 4 -1 61 204.234 2 ↓

Analogs

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Popular Name: 2-Pyridinecarboxamide, 3-(formylamino)-N-2-thiazolyl- (9CI) 2-Pyridinecarboxamide, 3-(formyl…

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AMPM-2-B Methionine Aminopeptidase (cluster #2 Of 3), Bacterial Bacteria 330 0.53 Binding ≤ 10μM
AMPM1-1-F Methionine Aminopeptidase 1 (cluster #1 Of 1), Fungal Fungi 320 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) 0.29 2.08 -12.63 2 6 0 84 248.267 3 ↓

Parameters Provided:

target.name = AMPM-2-B
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 'AMPM-2-B' 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=AMPM-2-B&target.type=B10&filter.purchasability=purchasable

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