UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 5,9-dianilino-7-phenyl-benzo[a]phenazin-7-ium-4,10-disulfonic 5,9-dianilino-7-phenyl-benzo[a]p…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 9300 0.15 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) 3.23 10.05 -94.44 1 10 -2 157 646.706 6 ↓

Analogs

14953257
14953257
14953268
14953268

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Popular Name: PA(18:1(9Z)/0:0) PA(18:1(9Z)/0:0)

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-2-E Autotaxin (cluster #2 Of 2), Eukaryotic Eukaryotes 442 0.31 Binding ≤ 10μM
LPAR1-2-E Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 4), Eukaryotic Eukaryotes 31 0.36 Functional ≤ 10μM
LPAR2-1-E Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 4), Eukaryotic Eukaryotes 7 0.39 Functional ≤ 10μM
LPAR3-1-E Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 3), Eukaryotic Eukaryotes 263 0.32 Functional ≤ 10μM
LPAR5-1-E Lysophosphatidic Acid Receptor 5 (cluster #1 Of 2), Eukaryotic Eukaryotes 12 0.38 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) 5.95 11.88 -133.15 1 7 -2 119 434.51 21 ↓
Mid Mid (pH 6-8) 5.95 10.72 -45.25 2 7 -1 116 435.518 21 ↓

Analogs

6289377
6289377

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Popular Name: (5Z)-3-[(4-chlorophenyl)methyl]-5-[[3-methoxy-4-(4-pyridylmethoxy)phenyl]methylene]thiazolidine-2,4- (5Z)-3-[(4-chlorophenyl)methyl]-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 68 0.31 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) 3.78 11.19 -13.24 0 6 0 70 466.946 7 ↓
Lo Low (pH 4.5-6) 3.78 11.46 -43.29 1 6 1 72 467.954 7 ↓

Analogs

2162251
2162251
2161776
2161776

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Popular Name: 5-[4-(benzyloxy)-3-methoxybenzylidene]-3-(4-fluorobenzyl)-1,3-thiazolidine-2,4-dione 5-[4-(benzyloxy)-3-methoxybenzyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 5870 0.23 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) 4.55 2.43 -11.67 0 5 0 57 449.503 7 ↓

Analogs

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Popular Name: 4-[[4-[[3-[(4-fluorophenyl)methyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]phenoxy]methyl]benzoic 4-[[4-[[3-[(4-fluorophenyl)methy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 1630 0.25 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) 4.87 1.65 -55.62 0 6 -1 88 462.478 7 ↓

Analogs

5736710
5736710

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Popular Name: (5Z)-5-(4-benzoxybenzylidene)-3-benzyl-thiazolidine-2,4-quinone (5Z)-5-(4-benzoxybenzylidene)-3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 2690 0.27 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) 4.80 1.33 -9.04 0 4 0 48 401.487 6 ↓

Analogs

2161769
2161769

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Popular Name: (5Z)-5-(4-benzoxybenzylidene)-3-(4-fluorobenzyl)thiazolidine-2,4-quinone (5Z)-5-(4-benzoxybenzylidene)-3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 700 0.29 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) 4.96 2.06 -8.62 0 4 0 48 419.477 6 ↓

Analogs

6922834
6922834

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Popular Name: (5Z)-3-benzyl-5-[(1,3-dimethyl-2-oxo-benzimidazol-5-yl)methylene]thiazolidine-2,4-dione (5Z)-3-benzyl-5-[(1,3-dimethyl-2…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 111 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) 2.39 10.1 -14.23 0 6 0 66 379.441 3 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-2-{[6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-1,3-benzothiazol-2-yl]sulfanyl}acetamide N-(3-chlorophenyl)-2-{[6-(1,3-di…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 261 0.29 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) 5.60 -2.19 -16.91 1 6 0 81 479.97 5 ↓

Analogs

4146949
4146949
4146950
4146950

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Popular Name: (4S)-6-amino-4-(4-dimethylaminophenyl)-3-(4-isobutylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbo (4S)-6-amino-4-(4-dimethylaminop…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 46 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) 4.30 8.17 -8.69 3 6 0 91 413.525 5 ↓
Lo Low (pH 4.5-6) 4.66 8.07 -44.78 3 6 0 88 414.533 5 ↓

Analogs

4146949
4146949
4146950
4146950

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Popular Name: (4R)-6-amino-4-(4-dimethylaminophenyl)-3-(4-isobutylphenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbo (4R)-6-amino-4-(4-dimethylaminop…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 46 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) 4.30 8.25 -8.6 3 6 0 91 413.525 5 ↓
Lo Low (pH 4.5-6) 4.66 7.98 -65.78 3 6 0 88 414.533 5 ↓

Analogs

26920337
26920337
26920341
26920341

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Popular Name: 4-({4-[(3-benzyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]-2-ethoxyphenoxy}methyl)benzoic acid 4-({4-[(3-benzyl-2,4-dioxo-1,3-t…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 161 0.27 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) 4.67 1.28 -60.1 0 7 -1 97 488.541 9 ↓

Analogs

3983341
3983341

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Popular Name: 4-[[4-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]-2-methoxy-phenoxy]met 4-[[4-[(Z)-[3-[(4-fluorophenyl)m…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 56 0.29 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) 4.46 12.04 -58.19 0 7 -1 98 492.504 8 ↓

Analogs

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Popular Name: 3-[(Z)-[3-[(4-fluorophenyl)methyl]-2,4-dioxo-thiazolidin-5-ylidene]methyl]benzoic 3-[(Z)-[3-[(4-fluorophenyl)methy…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 187 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) 3.20 8.86 -47.5 0 5 -1 79 356.354 4 ↓

Analogs

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Popular Name: S32826 S32826

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 9 0.42 Binding ≤ 10μM
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 367 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) 6.32 10.7 -49.65 2 5 -1 89 396.488 15 ↓
Mid Mid (pH 6-8) 6.32 11.82 -139.04 1 5 -2 92 395.48 15 ↓

Analogs

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Popular Name: 2-[4-[(3,5-dichlorophenyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxy 2-[4-[(3,5-dichlorophenyl)thioca…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 6500 0.22 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) 3.44 -3.48 -63.49 1 9 -1 106 506.395 6 ↓

Analogs

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Popular Name: 8-ethyl-5-oxo-2-[4-(9H-xanthene-9-carbonylcarbamothioyl)piperazin-1-yl]pyrido[2,3-d]pyrimidine-6-car 8-ethyl-5-oxo-2-[4-(9H-xanthene-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 2700 0.19 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) 3.50 15.55 -78.69 1 11 -1 133 569.623 6 ↓

Analogs

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Popular Name: 4-[4-[1,3-diketo-2-(1-naphthyl)isoindoline-5-carbonyl]phenoxy]benzoate 4-[4-[1,3-diketo-2-(1-naphthyl)i…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 6800 0.19 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) 7.27 2.97 -60.61 0 7 -1 105 512.497 6 ↓

Analogs

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Popular Name: USP) USP)

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
CLAT-2-E Choline Acetylase (cluster #2 Of 2), Eukaryotic Eukaryotes 100 0.21 Binding ≤ 10μM
DYR-1-E Dihydrofolate Reductase (cluster #1 Of 3), Eukaryotic Eukaryotes 400 0.19 Binding ≤ 10μM
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 1890 0.17 Binding ≤ 10μM
AMPC-6-B Beta-lactamase (cluster #6 Of 6), Bacterial Bacteria 650 0.19 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) 3.15 5.66 -122.53 4 12 -2 216 650.698 7 ↓

Analogs

16677618
16677618
550212
550212

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Popular Name: 4-[[5-[2-(4-carboxylatobenzyl)-1,3-diketo-isoindoline-5-carbonyl]-1,3-diketo-isoindolin-2-yl]methyl] 4-[[5-[2-(4-carboxylatobenzyl)-1…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 5000 0.17 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) 5.53 0.9 -113.12 0 11 -2 175 586.512 8 ↓

Analogs

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Popular Name: 2-[4-[(4-chlorophenyl)thiocarbamoyl]piperazino]-8-ethyl-5-keto-pyrido[2,3-d]pyrimidine-6-carboxylate 2-[4-[(4-chlorophenyl)thiocarbam…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 5700 0.23 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) 2.83 -3.46 -64.03 1 9 -1 106 471.95 6 ↓

Analogs

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Popular Name: 8-ethyl-5-keto-2-[4-[[3-(trifluoromethyl)phenyl]thiocarbamoyl]piperazino]pyrido[2,3-d]pyrimidine-6-c 8-ethyl-5-keto-2-[4-[[3-(trifluo…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
ENPP2-1-E Autotaxin (cluster #1 Of 2), Eukaryotic Eukaryotes 900 0.24 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) 3.03 -0.64 -65.35 1 9 -1 106 505.502 7 ↓

Parameters Provided:

annotation.name = ENPP2_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 'ENPP2\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

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