UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethoxy)phenyl]methyl]imidazole-4-carboxamide N-(1-methylpyrazol-3-yl)-1-[[3-(…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACOD-1-E Acyl-CoA Desaturase (cluster #1 Of 1), Eukaryotic Eukaryotes 88 0.38 Binding ≤ 10μM
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 32 0.40 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 88 0.38 Binding ≤ 1μM
ACOD1_RAT P07308 Acyl-CoA Desaturase 1, Rat 32 0.40 Binding ≤ 1μM
ACOD_HUMAN O00767 Acyl-CoA Desaturase, Human 88 0.38 Binding ≤ 10μM
ACOD1_RAT P07308 Acyl-CoA Desaturase 1, Rat 32 0.40 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) 2.24 8.18 -16.78 1 7 0 74 365.315 6 ↓

Analogs

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Popular Name: 5-methyl-N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide 5-methyl-N-(1-methylpyrazol-3-yl…

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Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 12 0.43 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACOD1_RAT P07308 Acyl-CoA Desaturase 1, Rat 11.8 0.43 Binding ≤ 1μM
ACOD1_RAT P07308 Acyl-CoA Desaturase 1, Rat 11.8 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) 2.38 9.7 -16.71 1 6 0 65 363.343 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1-methylpyrazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole-4-carboxamide N-(1-methylpyrazol-3-yl)-1-[[3-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 11 0.45 Binding ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
ACOD1_RAT P07308 Acyl-CoA Desaturase 1, Rat 11 0.45 Binding ≤ 1μM
ACOD1_RAT P07308 Acyl-CoA Desaturase 1, Rat 11 0.45 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) 2.16 9.4 -16.94 1 6 0 65 349.316 5 ↓

Parameters Provided:

ring.id = 466438
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 = 466438 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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