ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ADCY1-1-E	Brain Adenylate Cyclase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	254	0.23	Binding ≤ 10μM
ADCY2-2-E	Adenylate Cyclase Type II (cluster #2 Of 2), Eukaryotic	Eukaryotes	254	0.23	Binding ≤ 10μM
ADCY3-2-E	Adenylate Cyclase Type III (cluster #2 Of 2), Eukaryotic	Eukaryotes	254	0.23	Binding ≤ 10μM
ADCY4-2-E	Adenylate Cyclase Type IV (cluster #2 Of 2), Eukaryotic	Eukaryotes	254	0.23	Binding ≤ 10μM
ADCY5-2-E	Adenylate Cyclase Type V (cluster #2 Of 2), Eukaryotic	Eukaryotes	254	0.23	Binding ≤ 10μM
ADCY6-2-E	Adenylate Cyclase Type VI (cluster #2 Of 2), Eukaryotic	Eukaryotes	254	0.23	Binding ≤ 10μM
ADCY7-2-E	Adenylate Cyclase Type VII (cluster #2 Of 2), Eukaryotic	Eukaryotes	254	0.23	Binding ≤ 10μM
ADCY8-1-E	Adenylate Cyclase Type VIII (cluster #1 Of 2), Eukaryotic	Eukaryotes	254	0.23	Binding ≤ 10μM
ADCY9-2-E	Adenylate Cyclase Type IX (cluster #2 Of 2), Eukaryotic	Eukaryotes	254	0.23	Binding ≤ 10μM
GIPR-1-E	Gastric Inhibitory Polypeptide Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	28	0.26	Binding ≤ 10μM
GLP1R-1-E	Glucagon-like Peptide Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	0.21	Binding ≤ 10μM
GLP1R-1-E	Glucagon-like Peptide Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2536	0.20	Binding ≤ 10μM
GLR-1-E	Glucagon Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	23	0.27	Binding ≤ 10μM
GLR-1-E	Glucagon Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	47	0.26	Binding ≤ 10μM
GLR-1-E	Glucagon Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	63	0.25	Binding ≤ 10μM
GIPR-1-E	Gastric Inhibitory Polypeptide Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.21	Functional ≤ 10μM
GLR-1-E	Glucagon Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	21	0.27	Functional ≤ 10μM
GLR-1-E	Glucagon Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	140	0.24	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)	5.77	12.44	-62.71	2	8	-1	111	562.609	11	↓ MOL2 SDF SMILES Flexibase

1573528

Analogs

5720973
5949080

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-1-E	Glucagon Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	4800	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)	3.60	-1.06	-17.71	2	5	0	70	320.348	4	↓ MOL2 SDF SMILES Flexibase

357329

Analogs

485315
498343

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-1-E	Glucagon Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	4900	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)	3.79	-1.31	-17.14	2	5	0	70	320.348	4	↓ MOL2 SDF SMILES Flexibase

288567

Analogs

5330080

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Vendors

And 11 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GLR-1-E	Glucagon Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	1800	0.37	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)	3.78	-1.43	-16.44	2	4	0	61	290.322	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

    });
</script>