UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 2-furaldehyde dibenzylhydrazone 2-furaldehyde dibenzylhydrazone

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
G6PC-1-E Glucose-6-phosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 1100 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) 3.83 2.44 -7.66 0 3 0 28 290.366 6 ↓

Analogs

4991517
4991517

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Popular Name: [(E)-benzalamino]-dibenzyl-amine [(E)-benzalamino]-dibenzyl-amine

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
G6PC-1-E Glucose-6-phosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 1500 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) 4.58 2.04 -5.59 0 2 0 15 300.405 6 ↓

Analogs

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Popular Name: N-benzyl-1-phenyl-N-(2-pyridylmethyleneamino)methanamine N-benzyl-1-phenyl-N-(2-pyridylme…

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
G6PC-1-E Glucose-6-phosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 10000 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) 3.40 10.76 -9.14 0 3 0 28 301.393 6 ↓

Analogs

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Popular Name: 4-hydroxybenzaldehyde dibenzylhydrazone 4-hydroxybenzaldehyde dibenzylhy…

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And 7 More

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Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
G6PC-1-E Glucose-6-phosphatase (cluster #1 Of 1), Eukaryotic Eukaryotes 2400 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) 4.09 0.08 -7.01 1 3 0 35 316.404 6 ↓

Parameters Provided:

target.name = G6PC-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 'G6PC-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=G6PC-1-E&target.type=B10&filter.purchasability=purchasable

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