• Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
    • Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
    UCSF
    ZINC Item Suppliers, Protomers, & Similar Substances

    Analogs

    37827948
    37827948

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 6 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 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) 2.00 4.08 -18.74 0 8 0 93 468.55 15 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 3-amino-4-[4-(benzyloxy)-3-methoxyphenyl]-N-(5-chloro-2-methoxyphenyl)-6-phenylthieno[2,3-b]pyridine-2-carboxamide 3-amino-4-[4-(benzyloxy)-3-metho…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2300 0.18 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) 8.06 -1.42 -13.85 3 7 0 95 622.146 9 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: N-[3-(N-{[2-(3-butoxyphenyl)-4-quinolinyl]carbonyl}ethanehydrazonoyl)phenyl]-2,2-dimethylpropanamide N-[3-(N-{[2-(3-butoxyphenyl)-4-q…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 8000 0.18 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) 7.47 0.47 -28.48 2 2 0 92 536.676 7 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%


    Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

    Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

    Popular Name:

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 7 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2500 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) 5.73 1.53 -15.81 1 7 0 88 515.635 8 ↓

    Analogs

    Draw Identity 99% 90% 80% 70%

    Popular Name: 2-[1-[(4-chlorophenyl)methyl]benzoimidazol-2-yl]sulfanyl-N-[(4-diethylaminophenyl)methyleneamino]ace 2-[1-[(4-chlorophenyl)methyl]ben…

    Find On: PubMed — Wikipedia — Google

    Vendors

    And 5 More

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 2400 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) 6.62 15.4 -16.11 1 6 0 63 506.075 10 ↓

    Analogs

    39864040
    39864040
    39864041
    39864041
    39864519
    39864519
    39866749
    39866749

    Draw Identity 99% 90% 80% 70%

    Popular Name: ethyl 4-(5-(4-tert-butylbenzylidene)-2-{[4-(ethoxycarbonyl)phenyl]imino}-4-oxo-1,3-thiazolidin-3-yl)benzoate ethyl 4-(5-(4-tert-butylbenzylid…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 6100 0.18 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) 8.78 4.78 -11.88 0 7 0 86 556.684 10 ↓

    Analogs

    928187
    928187
    1224462
    1224462

    Draw Identity 99% 90% 80% 70%

    Popular Name: 1-[(2-keto-8-methyl-1H-quinolin-3-yl)methyl]-1-piperonyl-3-(p-tolyl)thiourea 1-[(2-keto-8-methyl-1H-quinolin-…

    Find On: PubMed — Wikipedia — Google

    Vendors

    Activity (Go SEA)

    Clustered Target Annotations
    Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
    PLM2-1-E Plasmepsin 2 (cluster #1 Of 1), Eukaryotic Eukaryotes 7000 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) 4.28 13.2 -12.91 2 6 0 67 471.582 7 ↓

    Parameters Provided:

    target.name = PLM2-1-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 'PLM2-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

    Permalink

    //zinc12.docking.org/results/combination?target.name=PLM2-1-E&target.type=B10&filter.purchasability=purchasable

    Embed Link to Results

  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245
  • Notice: Undefined index: field_name
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 244
  • Notice: Undefined index: synonym
    file: /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php
    line: 245