ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MGLL-6-E	Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic	Eukaryotes	977	0.70	Binding ≤ 10μM
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	1	1.05	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)	2.21	6.86	-16.65	0	2	0	6	240.444	5	↓ MOL2 SDF SMILES Flexibase

1606736

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MGLL-6-E	Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic	Eukaryotes	316	0.51	Binding ≤ 10μM
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	30	0.59	Functional ≤ 10μM
Z80224-3-O	MCF7 (Breast Carcinoma Cells) (cluster #3 Of 14), Other	Other	30	0.59	Functional ≤ 10μM
Z80712-3-O	T47D (Breast Carcinoma Cells) (cluster #3 Of 7), Other	Other	270	0.51	Functional ≤ 10μM
Z81252-5-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #5 Of 11), Other	Other	590	0.48	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)	4.03	10.7	-14.87	0	2	0	6	320.574	5	↓ MOL2 SDF SMILES Flexibase

1594973

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MGLL-6-E	Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic	Eukaryotes	219	0.52	Binding ≤ 10μM
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	1	0.70	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)	1.90	-5.1	-13.05	0	4	0	24	324.518	5	↓ MOL2 SDF SMILES Flexibase

1669786

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MGLL-6-E	Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic	Eukaryotes	741	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)	5.60	-0.23	-14.17	0	2	0	6	364.586	7	↓ MOL2 SDF SMILES Flexibase

24718135

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MGLL-6-E	Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic	Eukaryotes	110	0.49	Binding ≤ 10μM
Z80224-3-O	MCF7 (Breast Carcinoma Cells) (cluster #3 Of 14), Other	Other	350	0.45	Functional ≤ 10μM
Z80712-3-O	T47D (Breast Carcinoma Cells) (cluster #3 Of 7), Other	Other	330	0.45	Functional ≤ 10μM
Z81252-5-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #5 Of 11), Other	Other	3000	0.39	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)	1.99	7.58	-51.59	1	4	1	14	351.612	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.99	5.18	-12.09	0	4	0	13	350.604	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.99	10.42	-97.88	2	4	2	15	352.62	5	↓ MOL2 SDF SMILES Flexibase

32136784

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Popular Name: Lutiram Lutiram

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MGLL-6-E	Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic	Eukaryotes	912	0.53	Binding ≤ 10μM
Z80224-3-O	MCF7 (Breast Carcinoma Cells) (cluster #3 Of 14), Other	Other	380	0.56	Functional ≤ 10μM
Z80712-3-O	T47D (Breast Carcinoma Cells) (cluster #3 Of 7), Other	Other	280	0.57	Functional ≤ 10μM
Z81252-5-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #5 Of 11), Other	Other	250	0.58	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)	3.02	8.95	-15.11	0	2	0	6	292.52	5	↓ MOL2 SDF SMILES Flexibase

1529266

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Popular Name: Disulfiram Disulfiram

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MGLL-6-E	Monoglyceride Lipase (cluster #6 Of 7), Eukaryotic	Eukaryotes	1259	0.52	Binding ≤ 10μM
TRPA1-6-E	Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #6 Of 6), Eukaryotic	Eukaryotes	3000	0.48	Functional ≤ 10μM
Z50425-13-O	Plasmodium Falciparum (cluster #13 Of 22), Other	Other	3981	0.47	Functional ≤ 10μM
Z50607-5-O	Human Immunodeficiency Virus 1 (cluster #5 Of 10), Other	Other	3	0.75	Functional ≤ 10μM
Z80076-2-O	CEM-SS (T-cell Leukemia) (cluster #2 Of 5), Other	Other	3900	0.47	Functional ≤ 10μM
Z80224-3-O	MCF7 (Breast Carcinoma Cells) (cluster #3 Of 14), Other	Other	100	0.61	Functional ≤ 10μM
Z80712-3-O	T47D (Breast Carcinoma Cells) (cluster #3 Of 7), Other	Other	170	0.59	Functional ≤ 10μM
Z81252-5-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #5 Of 11), Other	Other	320	0.57	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)	3.71	10.59	-14.87	0	2	0	6	296.552	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = MGLL-6-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 'MGLL-6-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=MGLL-6-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": "MGLL-6-E",        
        "target.type": "B10"        

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