UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

3401909
3401909

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Popular Name: (NZ,2S)-2-(4-chlorophenyl)-3-methyl-N-thiazolidin-2-ylidene-butyramide (NZ,2S)-2-(4-chlorophenyl)-3-met…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FFAR2-1-E Free Fatty Acid Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2100 0.42 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) 3.58 7.28 -9.49 1 3 0 41 296.823 3 ↓

Analogs

25558486
25558486

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Popular Name: (2S)-N-(4-tert-butylthiazol-2-yl)-2-(4-chlorophenyl)-3-methyl-butanamide (2S)-N-(4-tert-butylthiazol-2-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
FFAR2-1-E Free Fatty Acid Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 7900 0.31 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) 5.98 10.26 -8.12 1 3 0 42 350.915 5 ↓

Analogs

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Popular Name: methyl methyl

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FFAR2-1-E Free Fatty Acid Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.35 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) 4.11 8.8 -17.56 1 5 0 68 352.843 6 ↓

Analogs

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Popular Name: (2S)-2-(4-chlorophenyl)-3-methyl-N-(5-methylthiazol-2-yl)butyramide (2S)-2-(4-chlorophenyl)-3-methyl…

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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
FFAR2-1-E Free Fatty Acid Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.43 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) 4.26 0.05 -12.9 1 3 0 41 308.834 4 ↓

Analogs

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Popular Name: (S)-2-(4-Chlorophenyl)-3-methyl-N-(thiazol-2-yl)butanamide (S)-2-(4-Chlorophenyl)-3-methyl-…

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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
FFAR2-1-E Free Fatty Acid Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 700 0.45 Functional ≤ 10μM
FFAR2-1-E Free Fatty Acid Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.45 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) 4.04 8.27 -13.14 1 3 0 42 294.807 4 ↓

Analogs

7968944
7968944

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Popular Name: 2-(4-chlorophenyl)-3-methyl-N-(4-methylthiazol-2-yl)-butanamide 2-(4-chlorophenyl)-3-methyl-N-(4…

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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
FFAR2-1-E Free Fatty Acid Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 1400 0.41 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) 4.26 -0.02 -8.7 1 3 0 41 308.834 4 ↓

Analogs

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Popular Name: (S)-2-(4-Chlorophenyl)-3,3-dimethyl-N-(5-phenylthiazol-2-yl)butanamide (S)-2-(4-Chlorophenyl)-3,3-dimet…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FFAR2-1-E Free Fatty Acid Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 700 0.33 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) 6.54 12.18 -13.09 1 3 0 42 384.932 5 ↓

Analogs

16985994
16985994

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Popular Name: N-(1H-benzoimidazol-2-yl)-2-(4-chlorophenyl)-3-methyl-butanamide N-(1H-benzoimidazol-2-yl)-2-(4-c…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FFAR2-1-E Free Fatty Acid Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5200 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) 4.80 -0.41 -9.8 2 4 0 57 327.815 4 ↓

Analogs

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Popular Name: (2R)-N-(1H-benzimidazol-2-yl)-2-(4-chlorophenyl)-3-methyl-butanamide (2R)-N-(1H-benzimidazol-2-yl)-2-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FFAR2-1-E Free Fatty Acid Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 5200 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) 4.97 11.18 -7.88 2 4 0 61 327.815 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-chlorophenyl)-3-methyl-N-thiazol-2-yl-butyramide (2R)-2-(4-chlorophenyl)-3-methyl…

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And 3 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FFAR2-1-E Free Fatty Acid Receptor 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 800 0.45 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) 4.04 8.4 -13.12 1 3 0 42 294.807 4 ↓

Parameters Provided:

annotation.name = FFAR2_HUMAN
anotation.type = F10
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 'FFAR2\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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//zinc12.docking.org/results/combination?annotation.name=FFAR2_HUMAN&filter.purchasability=purchasable

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