UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-(3-Benzooxazol-2-ylphenyl)-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid 2-(3-Benzooxazol-2-ylphenyl)-1,3…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HPSE-1-E Heparanase (cluster #1 Of 2), Eukaryotic Eukaryotes 8000 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) 4.58 -0.79 -49.1 0 7 -1 105 383.339 3 ↓

Analogs

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Popular Name: OGT2115 OGT2115

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Vendors

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HPSE-1-E Heparanase (cluster #1 Of 2), Eukaryotic Eukaryotes 400 0.28 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) 5.48 -1.28 -53.22 1 6 -1 95 494.296 6 ↓

Analogs

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Popular Name: N-[4-(1H-benzoimidazol-2-yl)phenyl]-3-bromo-4-methoxy-benzamide N-[4-(1H-benzoimidazol-2-yl)phen…

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Vendors

And 4 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HPSE-1-E Heparanase (cluster #1 Of 2), Eukaryotic Eukaryotes 4000 0.28 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) 5.23 -1.93 -19.75 2 5 0 67 422.282 4 ↓

Analogs

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Popular Name: N-[4-(1H-benzimidazol-2-yl)phenyl]-3-bromo-4-ethoxy-benzamide N-[4-(1H-benzimidazol-2-yl)pheny…

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Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
HPSE-1-E Heparanase (cluster #1 Of 2), Eukaryotic Eukaryotes 1200 0.30 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) 5.61 -1.91 -19.51 2 5 0 67 436.309 5 ↓

Parameters Provided:

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

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

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