• Notice: Undefined index: synonym
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    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    12951351
    12951351
    19419633
    19419633
    19555329
    19555329
    19565297
    19565297
    19608260
    19608260

    Draw Identity 99% 90% 80% 70%


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    Popular Name:

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    And 12 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 9400 0.21 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 1780 0.24 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) 0.62 1.47 -18.28 0 10 0 96 474.51 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,3-diphenyl-1-[4-(3-pyridylmethyl)piperazin-1-yl]propan-1-one 3,3-diphenyl-1-[4-(3-pyridylmeth…

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 520 0.30 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) 3.18 10.82 -10.95 0 4 0 36 385.511 6 ↓
    Lo Low (pH 4.5-6) 3.18 13.32 -116.02 2 4 2 39 387.527 6 ↓

    Analogs

    13729124
    13729124

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2-diphenyl-1-[4-[(1R)-1-(3-pyridyl)ethyl]piperazin-1-yl]ethanone 2,2-diphenyl-1-[4-[(1R)-1-(3-pyr…

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    Vendors

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 1200 0.29 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) 3.47 10.65 -11.29 0 4 0 36 385.511 5 ↓
    Lo Low (pH 4.5-6) 3.47 12.92 -110.83 2 4 2 39 387.527 5 ↓

    Analogs

    13729121
    13729121

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2,2-diphenyl-1-[4-[(1S)-1-(3-pyridyl)ethyl]piperazin-1-yl]ethanone 2,2-diphenyl-1-[4-[(1S)-1-(3-pyr…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 1200 0.29 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) 3.47 10.57 -9.57 0 4 0 36 385.511 5 ↓
    Lo Low (pH 4.5-6) 3.47 12.8 -113.59 2 4 2 39 387.527 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(diphenylacetyl)-4-(3-pyridinylmethyl)piperazine 1-(diphenylacetyl)-4-(3-pyridiny…

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    And 10 More

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    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 2600 0.28 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) 2.91 9.76 -12.17 0 4 0 36 371.484 5 ↓

    Analogs

    13745797
    13745797
    13745799
    13745799
    26816189
    26816189

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 41 0.33 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 41 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) 0.66 7.19 -22.14 1 8 0 99 421.501 7 ↓
    Lo Low (pH 4.5-6) 0.66 9.28 -128.94 3 8 2 101 423.517 7 ↓

    Analogs

    13745799
    13745799
    26816189
    26816189
    13745795
    13745795

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 41 0.33 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 41 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) 0.66 7.37 -22.02 1 8 0 99 421.501 7 ↓
    Lo Low (pH 4.5-6) 0.66 9.48 -131.13 3 8 2 101 423.517 7 ↓

    Analogs

    26816189
    26816189
    13745795
    13745795
    13745797
    13745797

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 41 0.33 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 41 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) 0.66 7.5 -21.82 1 8 0 99 421.501 7 ↓
    Lo Low (pH 4.5-6) 0.66 9.44 -129.01 3 8 2 101 423.517 7 ↓

    Analogs

    13745795
    13745795
    13745797
    13745797
    13745799
    13745799

    Draw Identity 99% 90% 80% 70%

    Popular Name: methyl methyl

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 41 0.33 Functional ≤ 10μM
    Z50592-3-O Oryctolagus Cuniculus (cluster #3 Of 8), Other Other 41 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) 0.66 7.49 -19.86 1 8 0 99 421.501 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-(3-pyridinylcarbonyl)-4-(3,4,5-trimethoxybenzoyl)piperazine 1-(3-pyridinylcarbonyl)-4-(3,4,5…

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    And 5 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 5200 0.26 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) -0.25 -0.25 -14.67 0 8 0 81 385.42 5 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3,3-diphenyl-1-[4-(pyridine-4-carbonyl)piperazin-1-yl]propan-1-one 3,3-diphenyl-1-[4-(pyridine-4-ca…

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    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PTAFR-3-E Platelet Activating Factor Receptor (cluster #3 Of 3), Eukaryotic Eukaryotes 1900 0.27 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) 2.29 11.16 -16.4 0 5 0 54 399.494 5 ↓

    Parameters Provided:

    target.name = PTAFR-3-E
target.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 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 'PTAFR-3-E' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?target.name=PTAFR-3-E&target.type=F10&filter.purchasability=purchasable

    Embed Link to Results

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    line: 245