UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (4-thiazol-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]-methanone (4-thiazol-2-ylpiperazin-1-yl)-[…

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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
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 3000 0.34 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) 2.40 -0.85 -15.39 0 4 0 36 341.358 3 ↓

Analogs

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Popular Name: 2-(4-(2-(Trifluoromethyl)benzoyl)piperazin-1-yl)thiazole-5-carboxylic acid 2-(4-(2-(Trifluoromethyl)benzoyl…

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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 7000 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) 2.21 8.75 -55.7 0 6 -1 77 384.359 4 ↓
Lo Low (pH 4.5-6) 2.21 9.16 -48.24 1 6 0 78 385.367 4 ↓

Analogs

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Popular Name: MF-152 MF-152

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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 300 0.35 Binding ≤ 10μM
ACOD1-1-E Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic Eukaryotes 106 0.38 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 4.86 -18.2 2 6 0 80 384.383 4 ↓

Parameters Provided:

annotation.name = ACOD1_RAT
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 'ACOD1\\_RAT' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=ACOD1_RAT&filter.purchasability=purchasable

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