ZINC 12

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Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

26144818

Analogs

26144826
38258791

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA7-5-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ACHA_RAT	P25108	Acetylcholine Receptor Protein Alpha Chain, Rat	11.2	0.56	Binding ≤ 1μM
ACHB_RAT	P25109	Acetylcholine Receptor Protein Beta Chain, Rat	11.2	0.56	Binding ≤ 1μM
ACH10_RAT	Q9JLB5	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA2_RAT	P12389	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA3_RAT	P04757	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA4_RAT	P09483	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA5_RAT	P20420	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA6_RAT	P43143	Neuronal Acetylcholine Receptor Protein Alpha-6 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA7_RAT	Q05941	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA9_RAT	P43144	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHB2_RAT	P12390	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHB3_RAT	P12391	Neuronal Acetylcholine Receptor Protein Beta-3 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHB4_RAT	P12392	Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA_RAT	P25108	Acetylcholine Receptor Protein Alpha Chain, Rat	11.2	0.56	Binding ≤ 10μM
ACHB_RAT	P25109	Acetylcholine Receptor Protein Beta Chain, Rat	11.2	0.56	Binding ≤ 10μM
ACH10_RAT	Q9JLB5	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA2_RAT	P12389	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA3_RAT	P04757	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA4_RAT	P09483	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA5_RAT	P20420	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA6_RAT	P43143	Neuronal Acetylcholine Receptor Protein Alpha-6 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA7_RAT	Q05941	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA9_RAT	P43144	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHB2_RAT	P12390	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHB3_RAT	P12391	Neuronal Acetylcholine Receptor Protein Beta-3 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHB4_RAT	P12392	Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat	11.2	0.56	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)	2.38	8.51	-44.13	1	3	1	30	264.352	1	↓ MOL2 SDF SMILES Flexibase

26144826

Analogs

38258791
26144818

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACH10-2-E	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA7-5-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	11	0.56	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
ACHA_RAT	P25108	Acetylcholine Receptor Protein Alpha Chain, Rat	11.2	0.56	Binding ≤ 1μM
ACHB_RAT	P25109	Acetylcholine Receptor Protein Beta Chain, Rat	11.2	0.56	Binding ≤ 1μM
ACH10_RAT	Q9JLB5	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA2_RAT	P12389	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA3_RAT	P04757	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA4_RAT	P09483	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA5_RAT	P20420	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA6_RAT	P43143	Neuronal Acetylcholine Receptor Protein Alpha-6 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA7_RAT	Q05941	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA9_RAT	P43144	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHB2_RAT	P12390	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHB3_RAT	P12391	Neuronal Acetylcholine Receptor Protein Beta-3 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHB4_RAT	P12392	Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat	11.2	0.56	Binding ≤ 1μM
ACHA_RAT	P25108	Acetylcholine Receptor Protein Alpha Chain, Rat	11.2	0.56	Binding ≤ 10μM
ACHB_RAT	P25109	Acetylcholine Receptor Protein Beta Chain, Rat	11.2	0.56	Binding ≤ 10μM
ACH10_RAT	Q9JLB5	Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA2_RAT	P12389	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA3_RAT	P04757	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA4_RAT	P09483	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA5_RAT	P20420	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA6_RAT	P43143	Neuronal Acetylcholine Receptor Protein Alpha-6 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA7_RAT	Q05941	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHA9_RAT	P43144	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHB2_RAT	P12390	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHB3_RAT	P12391	Neuronal Acetylcholine Receptor Protein Beta-3 Subunit, Rat	11.2	0.56	Binding ≤ 10μM
ACHB4_RAT	P12392	Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat	11.2	0.56	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)	2.38	8.5	-44.43	1	3	1	30	264.352	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 148820
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 148820 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "148820"        

    });
</script>

ZINC 12

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Physical Representations

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