ZINC 12

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)	5.03	11.97	-26.44	2	4	1	46	354.518	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.03	11.61	-11.14	1	4	0	45	353.51	5	↓ MOL2 SDF SMILES Flexibase

3650178

Analogs

9776523
3650007
3650105

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLCM-1-E	Glucosylceramidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	975	0.26	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)	4.58	14.42	-33.54	2	7	1	75	445.591	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.58	14.12	-16.48	1	7	0	74	444.583	4	↓ MOL2 SDF SMILES Flexibase

4563123

Analogs

3649803

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLCM-1-E	Glucosylceramidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	55	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)	5.37	11.07	-30.1	2	5	1	56	396.555	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.37	10.75	-13.74	1	5	0	54	395.547	5	↓ MOL2 SDF SMILES Flexibase

1124348

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLCM-1-E	Glucosylceramidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	168	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)	2.87	5.8	-15.38	2	7	0	101	371.418	5	↓ MOL2 SDF SMILES Flexibase

1135954

Analogs

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And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLCM-1-E	Glucosylceramidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	8440	0.26	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)	2.84	7.17	-23.36	1	7	0	92	402.501	6	↓ MOL2 SDF SMILES Flexibase

1205976

Analogs

5184768
22688946

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Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLCM-1-E	Glucosylceramidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	6460	0.29	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)	3.59	6.45	-16.01	2	5	0	75	352.415	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.59	6.47	-50.33	1	5	-1	77	351.407	5	↓ MOL2 SDF SMILES Flexibase

6244051

Analogs

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And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLCM-1-E	Glucosylceramidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	7150	0.31	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)	3.33	5.09	-14.86	2	5	0	75	332.425	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.33	5.11	-49.38	1	5	-1	77	331.417	7	↓ MOL2 SDF SMILES Flexibase

3649803

Analogs

4563123

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Vendors

Molport
- MolPort-007-587-106

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLCM-1-E	Glucosylceramidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	31	0.40	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)	4.36	9.19	-30.82	2	5	1	56	354.474	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.36	8.89	-13.58	1	5	0	54	353.466	3	↓ MOL2 SDF SMILES Flexibase

6267373

Analogs

25449721
25449729

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And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLCM-1-E	Glucosylceramidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	70	0.39	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)	2.60	5.64	-22.21	2	7	0	101	388.474	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.60	5.66	-54.92	1	7	-1	103	387.466	6	↓ MOL2 SDF SMILES Flexibase

3894499

Analogs

4563252

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLCM-1-E	Glucosylceramidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	268	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.43	12.69	-28.13	2	4	1	46	380.556	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.43	12.41	-12.79	1	4	0	45	379.548	3	↓ MOL2 SDF SMILES Flexibase

4400045

Analogs

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Vendors

Ambinter
- Amb2369272

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLCM-1-E	Glucosylceramidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	870	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)	3.61	10	-10.98	3	8	0	95	364.837	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.61	10.42	-24.27	4	8	1	97	365.845	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.61	10.43	-25.48	4	8	1	97	365.845	7	↓ MOL2 SDF SMILES Flexibase

36323386

Analogs

38811138
6252346
6252345
4521524
22059992

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Vendors

Tractus
- TRA0004745

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBA2-2-E	Beta-glucosidase (cluster #2 Of 2), Eukaryotic	Eukaryotes	2500	0.36	Binding ≤ 10μM
GBA3-2-E	Beta-glucosidase Cytosolic (cluster #2 Of 2), Eukaryotic	Eukaryotes	2500	0.36	Binding ≤ 10μM
GLCM-1-E	Glucosylceramidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	2500	0.36	Binding ≤ 10μM
MANBA-1-E	Beta-mannosidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	25	0.48	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)	-0.75	-5.86	-16.54	5	9	0	141	312.278	4	↓ MOL2 SDF SMILES Flexibase

36323390

Analogs

38811138
6252346
6252345
4521524
22059992

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Vendors

Tractus
- TRA0004745

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBA2-2-E	Beta-glucosidase (cluster #2 Of 2), Eukaryotic	Eukaryotes	2500	0.36	Binding ≤ 10μM
GBA3-2-E	Beta-glucosidase Cytosolic (cluster #2 Of 2), Eukaryotic	Eukaryotes	2500	0.36	Binding ≤ 10μM
GLCM-1-E	Glucosylceramidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	2500	0.36	Binding ≤ 10μM
MANBA-1-E	Beta-mannosidase (cluster #1 Of 2), Eukaryotic	Eukaryotes	25	0.48	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)	-0.75	-6.94	-15.51	5	9	0	141	312.278	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = GLCM-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 'GLCM-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=GLCM-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": "GLCM-1-E",        
        "target.type": "B10"        

    });
</script>