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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: HTS 01037 HTS 01037

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-1-E Fatty Acid Binding Protein Adipocyte (cluster #1 Of 3), Eukaryotic Eukaryotes 670 0.39 Binding ≤ 10μM
FABP5-1-E Fatty Acid Binding Protein Epidermal (cluster #1 Of 2), Eukaryotic Eukaryotes 3400 0.35 Binding ≤ 10μM
FABPH-1-E Fatty Acid Binding Protein Muscle (cluster #1 Of 3), Eukaryotic Eukaryotes 9070 0.32 Binding ≤ 10μM
FABPI-1-E Fatty Acid Binding Protein Intestinal (cluster #1 Of 3), Eukaryotic Eukaryotes 6570 0.33 Binding ≤ 10μM
FABPL-2-E Fatty Acid-binding Protein, Liver (cluster #2 Of 4), Eukaryotic Eukaryotes 8170 0.32 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 7.54 -49.29 1 6 -1 96 336.37 6 ↓

Analogs

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Popular Name: 2-{[2-(3,5-dichloroanilino)-2-oxoethyl]thio}acetic acid 2-{[2-(3,5-dichloroanilino)-2-ox…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-1-E Fatty Acid Binding Protein Adipocyte (cluster #1 Of 3), Eukaryotic Eukaryotes 1000 0.49 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) 2.17 -1.17 -52.45 1 4 -1 69 293.151 5 ↓

Analogs

4325133
4325133

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Popular Name: 2-({2-[(2-chloro-6-phenoxybenzyl)amino]-2-oxoethyl}sulfanyl)acetic acid 2-({2-[(2-chloro-6-phenoxybenzyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 3100 0.32 Binding ≤ 10μM
FABPH-1-E Fatty Acid Binding Protein Muscle (cluster #1 Of 3), Eukaryotic Eukaryotes 1900 0.33 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) 2.92 8.86 -54.42 1 5 -1 78 364.83 8 ↓

Analogs

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Popular Name: 2-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]thio}acetic acid 2-{[2-(3-chloro-4-fluoroanilino)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-1-E Fatty Acid Binding Protein Adipocyte (cluster #1 Of 3), Eukaryotic Eukaryotes 4400 0.44 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) 1.66 -0.29 -55.76 1 4 -1 69 276.696 5 ↓

Analogs

5972968
5972968
12504416
12504416
13507096
13507096
13507098
13507098
13507099
13507099

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Popular Name: Arachidonic acid Arachidonic acid

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And 27 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-2-E Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic Eukaryotes 180 0.43 Binding ≤ 10μM
Z50587-5-O Homo Sapiens (cluster #5 Of 9), Other Other 940 0.38 Functional ≤ 10μM
Z50643-1-O Hepatitis C Virus (cluster #1 Of 5), Other Other 10000 0.32 Functional ≤ 10μM
Z80548-2-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 5), Other Other 5 0.53 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) 6.42 14.92 -43.78 0 2 -1 40 303.466 14 ↓
Lo Low (pH 4.5-6) 6.42 12.94 -5.78 1 2 0 37 304.474 14 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methoxyphenyl)methylamino]-6-(trifluoromethyl)pyrimidin-4-ol 2-[(4-methoxyphenyl)methylamino]…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 3900 0.36 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) 2.87 4.88 -15.02 2 5 0 67 299.252 5 ↓
Mid Mid (pH 6-8) 3.32 3.97 -41.48 1 5 -1 70 298.244 5 ↓

Analogs

34974030
34974030
70515959
70515959
70515960
70515960

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Popular Name: DNC005041 DNC005041

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-2-E Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic Eukaryotes 800 0.43 Binding ≤ 10μM
FABP5-2-E Fatty Acid Binding Protein Epidermal (cluster #2 Of 2), Eukaryotic Eukaryotes 3000 0.39 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) 3.83 10.58 -48.79 0 3 -1 45 266.32 5 ↓

Analogs

36671252
36671252

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Popular Name: 3-Carbazol-9-yl-propionic acid 3-Carbazol-9-yl-propionic acid

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And 31 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 9400 0.39 Binding ≤ 10μM
FABPH-2-E Fatty Acid Binding Protein Muscle (cluster #2 Of 3), Eukaryotic Eukaryotes 5700 0.41 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) 3.05 0.99 -48.58 0 3 -1 45 238.266 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-Chloro-benzylamino)-6-trifluoromethyl-pyrimidin-4-ol 2-(4-Chloro-benzylamino)-6-trifl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 2900 0.39 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) 3.49 6 -14.6 2 4 0 58 303.671 4 ↓
Mid Mid (pH 6-8) 3.95 5.09 -39.28 1 4 -1 61 302.663 4 ↓

Analogs

34925820
34925820
34925821
34925821

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Popular Name: DNC005040 DNC005040

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 570 0.46 Binding ≤ 10μM
FABP5-2-E Fatty Acid Binding Protein Epidermal (cluster #2 Of 2), Eukaryotic Eukaryotes 6700 0.38 Binding ≤ 10μM
FABPH-2-E Fatty Acid Binding Protein Muscle (cluster #2 Of 3), Eukaryotic Eukaryotes 600 0.46 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) 3.32 9.79 -51.27 0 3 -1 45 252.293 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2'-(5-ethyl-3,4-diphenyl-pyrazol-1-yl)-biphenyl-3-yloxy]acetic acid [2'-(5-ethyl-3,4-diphenyl-pyrazo…

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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
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 7 0.32 Binding ≤ 10μM
FABP5-1-E Fatty Acid Binding Protein Epidermal (cluster #1 Of 2), Eukaryotic Eukaryotes 350 0.25 Binding ≤ 10μM
FABPH-1-E Fatty Acid Binding Protein Muscle (cluster #1 Of 3), Eukaryotic Eukaryotes 3470 0.21 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) 7.09 3.42 -56.54 0 5 -1 67 473.552 8 ↓

Analogs

4521470
4521470
4543724
4543724
4543732
4543732
4544257
4544257
5510396
5510396

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Popular Name: Linoleic acid Linoleic acid

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And 45 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-2-E Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic Eukaryotes 1000 0.42 Binding ≤ 10μM
FABPH-3-E Fatty Acid Binding Protein Muscle (cluster #3 Of 3), Eukaryotic Eukaryotes 1000 0.42 Binding ≤ 10μM
LOX1-3-E Seed Lipoxygenase-1 (cluster #3 Of 3), Eukaryotic Eukaryotes 1000 0.42 Binding ≤ 10μM
FFAR1-1-E Free Fatty Acid Receptor 1 (cluster #1 Of 2), Eukaryotic Eukaryotes 540 0.44 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) 6.86 13.95 -43.55 0 2 -1 40 279.444 14 ↓
Lo Low (pH 4.5-6) 6.86 11.98 -5.39 1 2 0 37 280.452 14 ↓

Analogs

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Popular Name: 8-anilino-1-naphthalenesulfonic acid 8-anilino-1-naphthalenesulfonic …

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 150 0.45 Binding ≤ 10μM
TTHY-2-E Transthyretin (cluster #2 Of 3), Eukaryotic Eukaryotes 4800 0.35 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) 2.03 6.07 -51.55 1 4 -1 69 298.343 3 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-Oxo-2-Piperidin-1-Ylethyl)Thio]-6-(Trifluoromethyl)Pyrimidin-4(1h)-One 2-[(2-Oxo-2-Piperidin-1-Ylethyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-3-E Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic Eukaryotes 1000 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) 2.55 5.16 -10.3 1 5 0 66 321.324 4 ↓
Hi High (pH 8-9.5) 3.00 4.04 -39.3 0 5 -1 69 320.316 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: palmitic acid palmitic acid

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And 25 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FABP4-2-E Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic Eukaryotes 930 0.47 Binding ≤ 10μM
FABP5-2-E Fatty Acid Binding Protein Epidermal (cluster #2 Of 2), Eukaryotic Eukaryotes 802 0.47 Binding ≤ 10μM
FABPH-3-E Fatty Acid Binding Protein Muscle (cluster #3 Of 3), Eukaryotic Eukaryotes 2600 0.43 Binding ≤ 10μM
FABPI-2-E Fatty Acid Binding Protein Intestinal (cluster #2 Of 3), Eukaryotic Eukaryotes 1700 0.45 Binding ≤ 10μM
TLR2-1-E Toll-like Receptor 2 (cluster #1 Of 2), Eukaryotic Eukaryotes 5000 0.41 Functional ≤ 10μM
Z80548-2-O THP-1 (Acute Monocytic Leukemia Cells) (cluster #2 Of 5), Other Other 5000 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) 7.06 2.36 -44.91 0 2 -1 40 255.422 14 ↓

Analogs

33822153
33822153
4529321
4529321

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Popular Name: oleic acid oleic acid

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And 18 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
FAAH1-4-E Anandamide Amidohydrolase (cluster #4 Of 7), Eukaryotic Eukaryotes 6000 0.37 Binding ≤ 10μM
FABP4-2-E Fatty Acid Binding Protein Adipocyte (cluster #2 Of 3), Eukaryotic Eukaryotes 185 0.47 Binding ≤ 10μM
FABP5-2-E Fatty Acid Binding Protein Epidermal (cluster #2 Of 2), Eukaryotic Eukaryotes 248 0.46 Binding ≤ 10μM
FABPL-1-E Fatty Acid-binding Protein, Liver (cluster #1 Of 4), Eukaryotic Eukaryotes 900 0.42 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) 7.58 13.34 -45.08 0 2 -1 40 281.46 15 ↓

Parameters Provided:

annotation.name = FABP4_HUMAN
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 'FABP4\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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