ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PYGL-1-E	Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic	Eukaryotes	39	0.37	Binding ≤ 10μM
PYGM-1-E	Muscle Glycogen Phosphorylase (cluster #1 Of 4), Eukaryotic	Eukaryotes	138	0.34	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	2330	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.40	13.26	-138.37	0	7	-2	110	405.834	7	↓ MOL2 SDF SMILES Flexibase

3993547

Analogs

3776693

Draw Identity 99% 90% 80% 70%

Popular Name: BAY U6751 BAY U6751

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PYGL-1-E	Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic	Eukaryotes	39	0.37	Binding ≤ 10μM
PYGM-1-E	Muscle Glycogen Phosphorylase (cluster #1 Of 4), Eukaryotic	Eukaryotes	138	0.34	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	2330	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.40	13.28	-138.46	0	7	-2	110	405.834	7	↓ MOL2 SDF SMILES Flexibase

13673990

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Tractus
- TRA0077097

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PYGL-1-E	Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic	Eukaryotes	53	0.36	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	380	0.32	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.83	4.05	-19.03	4	8	0	109	412.78	4	↓ MOL2 SDF SMILES Flexibase

13780535

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

Aldrich CPR
- PH000922|ALDRICH

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PYGL-1-E	Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic	Eukaryotes	330	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	7.18	-54.88	3	6	-1	105	371.8	6	↓ MOL2 SDF SMILES Flexibase

1544567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N/A N/A

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PYGL-1-E	Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic	Eukaryotes	130	0.34	Binding ≤ 10μM
Z80477-1-O	SK_HEP1 (Hepatoma Cells) (cluster #1 Of 1), Other	Other	1500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	-2.57	-15.46	3	6	0	85	399.878	6	↓ MOL2 SDF SMILES Flexibase

13780544

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PYGL-1-E	Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic	Eukaryotes	400	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.29	7.74	-15.61	2	5	0	65	335.407	5	↓ MOL2 SDF SMILES Flexibase

13968254

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

AKOS (make-on-demand)
- AKOS003877940

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PYGL-1-E	Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic	Eukaryotes	43	0.34	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.34	10.96	-14.87	2	4	0	58	486.226	9	↓ MOL2 SDF SMILES Flexibase

602032

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CP-320626 CP-320626

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Vendors

American Custom Chemicals Corp.
- HCH0135331

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CP51A-1-E	Cytochrome P450 51 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4000	0.24	Binding ≤ 10μM
PYGL-1-E	Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic	Eukaryotes	920	0.27	Binding ≤ 10μM
PYGM-2-E	Muscle Glycogen Phosphorylase (cluster #2 Of 4), Eukaryotic	Eukaryotes	500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.58	-4.39	-13.98	3	6	0	85	443.906	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "target.name": "PYGL-1-E",        
        "target.type": "B10"        

    });
</script>