UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-K80085445-001-01-0 BRD-K80085445-001-01-0

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLAP-1-E Phospholipase A-2-activating Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 2000 0.32 Binding ≤ 10μM
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 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) 1.75 3.06 -14.56 2 8 0 110 358.379 6 ↓
Hi High (pH 8-9.5) 1.75 3.99 -46.29 1 8 -1 113 357.371 6 ↓

Analogs

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Popular Name: 1,4-dihydrochromeno[4,3-c]pyrazole-3-carboxylic acid 1,4-dihydrochromeno[4,3-c]pyrazo…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 1300 0.52 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) 1.57 4.23 -43.29 1 5 -1 78 215.188 1 ↓

Analogs

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Popular Name: 5-(2,4-Dichloro-phenyl)-1 H -pyrazole-3-carboxylic acid methyl ester 5-(2,4-Dichloro-phenyl)-1 H -pyr…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 500 0.52 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) 3.35 6.36 -6.6 1 4 0 55 271.103 3 ↓

Analogs

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Popular Name: 3-(2,4-DICHLOROPHENYL)-1H-PYRAZOLE-5-CARBOHYDRAZIDE 3-(2,4-DICHLOROPHENYL)-1H-PYRAZO…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 44 0.61 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) 1.90 -6.91 -10.68 4 5 0 83 271.107 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-Chlorophenyl)-1H-pyrazole-3-carboxylic acid 5-(2-Chlorophenyl)-1H-pyrazole-3…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 980 0.56 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) 2.43 5.79 -44.18 1 4 -1 69 221.623 2 ↓

Analogs

6706918
6706918

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-ethoxy-N-(3-pyridyl)benzenesulfonamide 5-chloro-2-ethoxy-N-(3-pyridyl)b…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 540 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) 2.67 3.8 -12.6 1 5 0 68 312.778 5 ↓

Analogs

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Popular Name: 4-bromo-2,5-dimethoxy-N-(3-pyridyl)benzenesulfonamide 4-bromo-2,5-dimethoxy-N-(3-pyrid…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 1550 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) 2.41 2.54 -10.44 1 6 0 78 373.228 5 ↓
Mid Mid (pH 6-8) 2.41 2.38 -47.05 0 6 -1 80 372.22 5 ↓

Analogs

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Popular Name: BRD-K26062444-001-01-7 BRD-K26062444-001-01-7

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 1130 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) 2.44 3.95 -12.73 1 5 0 68 292.36 5 ↓
Mid Mid (pH 6-8) 2.44 4.01 -54.37 0 5 -1 70 291.352 5 ↓

Analogs

6706918
6706918

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Popular Name: 2,5-dimethoxy-N-(3-quinolyl)benzenesulfonamide 2,5-dimethoxy-N-(3-quinolyl)benz…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 590 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) 2.90 3.86 -56.17 0 6 -1 80 343.384 5 ↓
Mid Mid (pH 6-8) 2.90 3.98 -12.19 1 6 0 78 344.392 5 ↓
Mid Mid (pH 6-8) 2.90 4.29 -28.21 1 6 0 81 344.392 5 ↓

Analogs

37054975
37054975

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Popular Name: BRD-K86510611-001-01-9 BRD-K86510611-001-01-9

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 1060 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) 1.67 1.86 -12.45 1 6 0 78 294.332 5 ↓
Mid Mid (pH 6-8) 1.67 1.71 -54.69 0 6 -1 80 293.324 5 ↓

Analogs

37054975
37054975

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-methoxy-N-(3-pyridyl)benzenesulfonamide 5-fluoro-2-methoxy-N-(3-pyridyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 1290 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) 1.78 2.64 -11.08 1 5 0 68 282.296 4 ↓
Mid Mid (pH 6-8) 1.78 2.49 -50.35 0 5 -1 70 281.288 4 ↓

Analogs

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Popular Name: 2,5-dimethoxy-4-methyl-N-(3-pyridyl)benzenesulfonamide 2,5-dimethoxy-4-methyl-N-(3-pyri…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 1490 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) 2.05 2.61 -11.49 1 6 0 78 308.359 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-ethoxy-4-methyl-N-(3-pyridyl)benzenesulfonamide 5-chloro-2-ethoxy-4-methyl-N-(3-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 690 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 4.39 -12.62 1 5 0 68 326.805 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4,5-dimethyl-N-(3-pyridyl)benzenesulfonamide 2-methoxy-4,5-dimethyl-N-(3-pyri…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 1680 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) 2.44 3.78 -11.3 1 5 0 68 292.36 4 ↓

Analogs

6706918
6706918

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-methoxy-N-(3-quinolyl)benzenesulfonamide 5-bromo-2-methoxy-N-(3-quinolyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 120 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) 3.65 5.2 -51.36 0 5 -1 70 392.254 4 ↓
Mid Mid (pH 6-8) 3.65 5.63 -24.94 1 5 0 72 393.262 4 ↓
Lo Low (pH 4.5-6) 3.65 5.31 -10.24 1 5 0 68 393.262 4 ↓

Analogs

6706918
6706918

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-methyl-N-(3-quinolyl)benzenesulfonamide 2-methoxy-5-methyl-N-(3-quinolyl…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 650 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) 3.29 5.24 -55.29 0 5 -1 70 327.385 4 ↓
Mid Mid (pH 6-8) 3.29 5.35 -11.12 1 5 0 68 328.393 4 ↓
Mid Mid (pH 6-8) 3.29 5.67 -26.98 1 5 0 72 328.393 4 ↓

Analogs

37054975
37054975

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-5-methyl-N-(3-pyridyl)benzenesulfonamide 2-methoxy-5-methyl-N-(3-pyridyl)…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 1850 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) 2.06 3.23 -11.21 1 5 0 68 278.333 4 ↓
Mid Mid (pH 6-8) 2.06 3.09 -53.8 0 5 -1 70 277.325 4 ↓

Analogs

37054975
37054975

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Popular Name: 2-methoxy-4-nitro-N-(3-pyridyl)benzenesulfonamide 2-methoxy-4-nitro-N-(3-pyridyl)b…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 3160 0.37 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) 1.58 3.13 -42.73 0 8 -1 116 308.295 5 ↓
Mid Mid (pH 6-8) 1.58 3.27 -10.95 1 8 0 114 309.303 5 ↓
Mid Mid (pH 6-8) 1.58 3.62 -31.75 1 8 0 117 309.303 5 ↓

Analogs

6706918
6706918

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-methoxy-4-methyl-N-(3-pyridyl)benzenesulfonamide 5-chloro-2-methoxy-4-methyl-N-(3…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 510 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) 2.67 3.66 -10.52 1 5 0 68 312.778 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2,5-dimethoxy-N-(3-pyridinyl)benzenesulfonamide 4-chloro-2,5-dimethoxy-N-(3-pyri…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 1130 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) 2.28 2.42 -10.51 1 6 0 78 328.777 5 ↓
Mid Mid (pH 6-8) 2.28 2.27 -47.11 0 6 -1 80 327.769 5 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dihydroxyphenyl)-2-[(4,6-dimethylpyrimidin-2-yl)thio]ethanone 1-(3,4-dihydroxyphenyl)-2-[(4,6-…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLAP-1-E Phospholipase A-2-activating Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 0.39 Binding ≤ 10μM
PPBN-1-E Alkaline Phosphatase Placental-like (cluster #1 Of 1), Eukaryotic Eukaryotes 600 0.44 Binding ≤ 10μM
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 8600 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) 2.33 3.05 -15.56 2 5 0 83 290.344 4 ↓
Hi High (pH 8-9.5) 2.33 3.99 -47.82 1 5 -1 86 289.336 4 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-4-(methoxymethyl)-6-methyl-nicotinonitrile 2-[[2-(3,4-dihydroxyphenyl)-2-ke…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
PLAP-1-E Phospholipase A-2-activating Protein (cluster #1 Of 1), Eukaryotic Eukaryotes 2200 0.33 Binding ≤ 10μM
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 4800 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) 1.84 3.44 -15.65 2 6 0 103 344.392 6 ↓
Hi High (pH 8-9.5) 1.84 4.38 -47.18 1 6 -1 106 343.384 6 ↓

Analogs

1492564
1492564

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Popular Name: MINALRESTAT MINALRESTAT

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AK1A1-1-E Aldehyde Reductase (cluster #1 Of 1), Eukaryotic Eukaryotes 40 0.37 Binding ≤ 10μM
AK1BA-1-E Aldo-keto Reductase Family 1 Member B10 (cluster #1 Of 1), Eukaryotic Eukaryotes 740 0.31 Binding ≤ 10μM
ALDR-2-E Aldose Reductase (cluster #2 Of 5), Eukaryotic Eukaryotes 14 0.39 Binding ≤ 10μM
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 27 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) 1.08 -0.4 -10.22 1 6 0 83 449.207 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Tolrestat Tolrestat

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
AK1A1-1-E Aldehyde Reductase (cluster #1 Of 1), Eukaryotic Eukaryotes 1210 0.35 Binding ≤ 10μM
AK1BA-1-E Aldo-keto Reductase Family 1 Member B10 (cluster #1 Of 1), Eukaryotic Eukaryotes 54 0.42 Binding ≤ 10μM
ALDR-2-E Aldose Reductase (cluster #2 Of 5), Eukaryotic Eukaryotes 30 0.44 Binding ≤ 10μM
PPBT-1-E Alkaline Phosphatase Tissue-nonspecific (cluster #1 Of 1), Eukaryotic Eukaryotes 27 0.44 Binding ≤ 10μM
Z50587-4-O Homo Sapiens (cluster #4 Of 9), Other Other 15 0.46 Functional ≤ 10μM
Z50597-1-O Rattus Norvegicus (cluster #1 Of 12), Other Other 540 0.37 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) 2.71 10.02 -52.28 0 4 -1 53 356.345 6 ↓

Parameters Provided:

target.name = PPBT-1-E
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'PPBT-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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