ZINC 12

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Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

3079336

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 73 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACHA2-3-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	180	0.94	Binding ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 6), Eukaryotic	Eukaryotes	3509	0.76	Binding ≤ 10μM
ACHB2-3-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #3 Of 7), Eukaryotic	Eukaryotes	180	0.94	Binding ≤ 10μM
ACHB4-4-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #4 Of 7), Eukaryotic	Eukaryotes	180	0.94	Binding ≤ 10μM
ACHD-2-E	Acetylcholine Receptor Protein Delta Chain (cluster #2 Of 3), Eukaryotic	Eukaryotes	5000	0.74	Binding ≤ 10μM
ACHP-1-E	Acetylcholine-binding Protein (cluster #1 Of 3), Eukaryotic	Eukaryotes	3162	0.77	Binding ≤ 10μM
ACM1-4-E	Muscarinic Acetylcholine Receptor M1 (cluster #4 Of 5), Eukaryotic	Eukaryotes	770	0.86	Binding ≤ 10μM
ACM3-4-E	Muscarinic Acetylcholine Receptor M3 (cluster #4 Of 5), Eukaryotic	Eukaryotes	220	0.93	Binding ≤ 10μM
ACM5-1-E	Muscarinic Acetylcholine Receptor M5 (cluster #1 Of 4), Eukaryotic	Eukaryotes	790	0.85	Binding ≤ 10μM
ACHA3-1-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	8900	0.71	Functional ≤ 10μM
ACHA7-2-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	4000	0.76	Functional ≤ 10μM
ACM1-1-E	Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1	1.26	Functional ≤ 10μM
ACM2-2-E	Muscarinic Acetylcholine Receptor M2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	220	0.93	Functional ≤ 10μM
ACM3-1-E	Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3	1.19	Functional ≤ 10μM
ACM4-1-E	Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	10	1.12	Functional ≤ 10μM
ACM5-2-E	Muscarinic Acetylcholine Receptor M5 (cluster #2 Of 3), Eukaryotic	Eukaryotes	630	0.87	Functional ≤ 10μM
Z104281-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta2 (cluster #1 Of 2), Other	Other	41	1.03	Binding ≤ 10μM
Z104286-1-O	Neuronal Acetylcholine Receptor; Alpha2/beta2 (cluster #1 Of 2), Other	Other	11	1.11	Binding ≤ 10μM
Z104287-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #2 Of 3), Other	Other	881	0.85	Binding ≤ 10μM
Z104289-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #1 Of 2), Other	Other	83	0.99	Binding ≤ 10μM
Z104290-3-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #3 Of 4), Other	Other	8	1.13	Binding ≤ 10μM
Z104303-2-O	Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other	Other	12	1.11	Binding ≤ 10μM
Z102306-2-O	Aorta (cluster #2 Of 6), Other	Other	1000	0.84	Functional ≤ 10μM
Z104287-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 2), Other	Other	8700	0.71	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)	-3.56	6.42	-34.1	0	3	1	26	146.21	4	↓ MOL2 SDF SMILES Flexibase

3079342

Analogs

6382231

Draw Identity 99% 90% 80% 70%

Popular Name: Carbachol Carbachol

Find On: PubMed — Wikipedia — Google

Vendors

And 31 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACES-8-E	Acetylcholinesterase (cluster #8 Of 12), Eukaryotic	Eukaryotes	8	1.13	Binding ≤ 10μM
ACHA2-3-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	640	0.87	Binding ≤ 10μM
ACHB2-3-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #3 Of 7), Eukaryotic	Eukaryotes	640	0.87	Binding ≤ 10μM
ACHB4-4-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #4 Of 7), Eukaryotic	Eukaryotes	640	0.87	Binding ≤ 10μM
ACHD-2-E	Acetylcholine Receptor Protein Delta Chain (cluster #2 Of 3), Eukaryotic	Eukaryotes	450	0.89	Binding ≤ 10μM
ACM1-2-E	Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	739	0.86	Binding ≤ 10μM
ACM2-2-E	Muscarinic Acetylcholine Receptor M2 (cluster #2 Of 6), Eukaryotic	Eukaryotes	8	1.13	Binding ≤ 10μM
ACM3-2-E	Muscarinic Acetylcholine Receptor M3 (cluster #2 Of 5), Eukaryotic	Eukaryotes	9100	0.71	Binding ≤ 10μM
ACM4-2-E	Muscarinic Acetylcholine Receptor M4 (cluster #2 Of 6), Eukaryotic	Eukaryotes	5500	0.74	Binding ≤ 10μM
ACM5-1-E	Muscarinic Acetylcholine Receptor M5 (cluster #1 Of 4), Eukaryotic	Eukaryotes	4300	0.75	Binding ≤ 10μM
ACM1-1-E	Muscarinic Acetylcholine Receptor M1 (cluster #1 Of 3), Eukaryotic	Eukaryotes	620	0.87	Functional ≤ 10μM
ACM2-2-E	Muscarinic Acetylcholine Receptor M2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	700	0.86	Functional ≤ 10μM
ACM3-1-E	Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	9900	0.70	Functional ≤ 10μM
ACM4-1-E	Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	230	0.93	Functional ≤ 10μM
ACM5-2-E	Muscarinic Acetylcholine Receptor M5 (cluster #2 Of 3), Eukaryotic	Eukaryotes	8900	0.71	Functional ≤ 10μM
Z104281-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta2 (cluster #1 Of 2), Other	Other	1100	0.83	Binding ≤ 10μM
Z104286-1-O	Neuronal Acetylcholine Receptor; Alpha2/beta2 (cluster #1 Of 2), Other	Other	210	0.93	Binding ≤ 10μM
Z104287-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #2 Of 3), Other	Other	4800	0.74	Binding ≤ 10μM
Z104289-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #1 Of 2), Other	Other	1300	0.82	Binding ≤ 10μM
Z104290-3-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #3 Of 4), Other	Other	590	0.87	Binding ≤ 10μM
Z104303-2-O	Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other	Other	9000	0.71	Binding ≤ 10μM
Z102306-2-O	Aorta (cluster #2 Of 6), Other	Other	790	0.85	Functional ≤ 10μM
Z50512-2-O	Cavia Porcellus (cluster #2 Of 7), Other	Other	500	0.88	Functional ≤ 10μM
Z50592-4-O	Oryctolagus Cuniculus (cluster #4 Of 8), Other	Other	460	0.89	Functional ≤ 10μM
Z80024-2-O	A9 (Fibroblast Cells) (cluster #2 Of 3), Other	Other	100	0.98	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)	-4.14	1.5	-35.46	2	4	1	52	147.198	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = ACHB4-4-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 'ACHB4-4-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=ACHB4-4-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": "ACHB4-4-E",        
        "target.type": "B10"        

    });
</script>

ZINC 12

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Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results