ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AGTR1-1-E	Type-1 Angiotensin II Receptor (cluster #1 Of 2), Eukaryotic	Eukaryotes	3600	0.20	Binding ≤ 10μM
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	63	0.27	Binding ≤ 10μM
GHRHR-1-E	Growth Hormone-releasing Hormone Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	60	0.27	Functional ≤ 10μM
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	60	0.27	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	60	0.27	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	-1.3	-83.25	4	9	0	129	509.614	7	↓ MOL2 SDF SMILES Flexibase

1543181

Analogs

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Popular Name: MK-677 MK-677

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And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	32	0.28	Binding ≤ 10μM
GHRHR-1-E	Growth Hormone-releasing Hormone Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.33	Functional ≤ 10μM
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.34	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 5), Other	Other	0	0.00	Binding ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	2	0.33	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)	1.92	-7.33	-60.43	4	9	1	123	529.683	8	↓ MOL2 SDF SMILES Flexibase

2086480

Analogs

33759751

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Popular Name:

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And 8 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	180	0.34	Binding ≤ 10μM
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	180	0.34	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)	5.25	1.74	-10.85	1	5	0	58	418.324	6	↓ MOL2 SDF SMILES Flexibase

6511204

Analogs

6511233

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1290	0.21	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)	6.01	1.45	-47.65	3	6	1	69	533.712	12	↓ MOL2 SDF SMILES Flexibase

6511233

Analogs

6511204

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1290	0.21	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)	6.01	1.64	-41.38	3	6	1	69	533.712	12	↓ MOL2 SDF SMILES Flexibase

6511795

Analogs

6511828
12705348
12705354
12715626
12715629

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1370	0.22	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)	5.74	0.42	-43.68	3	6	1	69	519.685	11	↓ MOL2 SDF SMILES Flexibase

6511828

Analogs

12705348
12705354
12715626
12715629
6511795

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1370	0.22	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)	5.74	1.77	-39.76	3	6	1	69	519.685	11	↓ MOL2 SDF SMILES Flexibase

6501133

Analogs

6501434
6481371
6481530

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Vendors

Ambinter
- Amb9699437

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	870	0.24	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)	5.69	1.57	-42.66	3	6	1	69	481.705	13	↓ MOL2 SDF SMILES Flexibase

6501434

Analogs

6481371
6481530
6501133

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Vendors

Ambinter
- Amb9699437

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	870	0.24	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)	5.69	1.28	-50.58	3	6	1	69	481.705	13	↓ MOL2 SDF SMILES Flexibase

3952532

Analogs

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Popular Name: relin relin

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Vendors

Toronto Research Chemicals
- T003500

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.31	Binding ≤ 10μM
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.31	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	3	0.31	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)	3.90	-0.55	-51.42	4	7	1	97	529.705	11	↓ MOL2 SDF SMILES Flexibase

996570

Analogs

33759751

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And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	690	0.32	Binding ≤ 10μM
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	250	0.34	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)	4.62	1.96	-10.13	1	5	0	58	383.879	6	↓ MOL2 SDF SMILES Flexibase

205125

Analogs

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And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	8200	0.27	Binding ≤ 10μM
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	7600	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)	3.99	1.99	-10.09	1	5	0	58	349.434	6	↓ MOL2 SDF SMILES Flexibase

6511212

Analogs

6511241
6600074
6600149

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1320	0.21	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	-1.53	-41.1	4	7	1	89	531.721	12	↓ MOL2 SDF SMILES Flexibase

6511241

Analogs

6511212

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1320	0.21	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	-1.06	-41.96	4	7	1	89	531.721	12	↓ MOL2 SDF SMILES Flexibase

6481371

Analogs

6481530
6501133
6501434

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Vendors

Ambinter
- Amb9699438

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	280	0.25	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)	6.20	1.69	-42.9	3	6	1	69	495.732	14	↓ MOL2 SDF SMILES Flexibase

6481530

Analogs

6501133
6501434
6481371

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Vendors

Ambinter
- Amb9699438

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GHSR-1-E	Ghrelin Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	280	0.25	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)	6.20	1.61	-51.4	3	6	1	69	495.732	14	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

    });
</script>