ZINC 12

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	4	0.84	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	4	0.84	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	200	0.67	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	220	0.67	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	220	0.67	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	200	0.67	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	200	0.67	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	4	0.84	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	5	0.83	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	4	0.84	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.84	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	220	0.67	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	220	0.67	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	220	0.67	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	200	0.67	Binding ≤ 10μM
ACHE-1-E	Acetylcholine Receptor Protein Epsilon Chain (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.67	Binding ≤ 10μM
ACHG-1-E	Acetylcholine Receptor Protein Gamma Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	200	0.67	Binding ≤ 10μM
Q8BGP7-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.85	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 3), Eukaryotic	Eukaryotes	7	0.82	Functional ≤ 10μM
ACHA4-2-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #2 Of 2), Eukaryotic	Eukaryotes	120	0.69	Functional ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Functional ≤ 10μM
Z104281-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta2 (cluster #2 Of 2), Other	Other	0	0.00	Binding ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	0	0.00	Binding ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	17	0.78	Binding ≤ 10μM
Z104284-1-O	Neuronal Acetylcholine Receptor; Alpha2/beta4 (cluster #1 Of 1), Other	Other	0	0.00	Binding ≤ 10μM
Z104285-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #1 Of 1), Other	Other	0	0.00	Binding ≤ 10μM
Z104286-2-O	Neuronal Acetylcholine Receptor; Alpha2/beta2 (cluster #2 Of 2), Other	Other	0	0.00	Binding ≤ 10μM
Z104287-3-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #3 Of 3), Other	Other	700	0.62	Binding ≤ 10μM
Z104288-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 2), Other	Other	0	0.00	Binding ≤ 10μM
Z104289-2-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #2 Of 2), Other	Other	0	0.00	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	0	0.00	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	8	0.81	Binding ≤ 10μM
Z104282-1-O	Acetylcholine Receptor; Alpha1/beta1/delta/gamma (cluster #1 Of 1), Other	Other	0	0.00	Functional ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 2), Other	Other	50	0.73	Functional ≤ 10μM
Z104287-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #2 Of 2), Other	Other	16	0.78	Functional ≤ 10μM
Z104288-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 1), Other	Other	28	0.76	Functional ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 1), Other	Other	1	0.90	Functional ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 1), Other	Other	14	0.79	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	37	0.74	Functional ≤ 10μM
Z80175-1-O	IMR-32 (Neuroblastoma Cells) (cluster #1 Of 2), Other	Other	7	0.82	Functional ≤ 10μM
Z80545-3-O	TE-671 (cluster #3 Of 3), Other	Other	1260	0.59	Functional ≤ 10μM
Z81074-1-O	K177cell Line (cluster #1 Of 1), Other	Other	350	0.65	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)	1.98	4.97	-42.26	2	2	1	29	209.7	1	↓ MOL2 SDF SMILES Flexibase

2565794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: LS-22336 LS-22336

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And 3 More

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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	4	0.84	Binding ≤ 10μM
ACHA-4-E	Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic	Eukaryotes	4	0.84	Binding ≤ 10μM
ACHA2-4-E	Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	200	0.67	Binding ≤ 10μM
ACHA3-4-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic	Eukaryotes	220	0.67	Binding ≤ 10μM
ACHA4-1-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic	Eukaryotes	220	0.67	Binding ≤ 10μM
ACHA5-4-E	Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	200	0.67	Binding ≤ 10μM
ACHA6-4-E	Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic	Eukaryotes	200	0.67	Binding ≤ 10μM
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	4	0.84	Binding ≤ 10μM
ACHA9-4-E	Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic	Eukaryotes	4	0.84	Binding ≤ 10μM
ACHB-1-E	Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.84	Binding ≤ 10μM
ACHB2-4-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic	Eukaryotes	220	0.67	Binding ≤ 10μM
ACHB3-4-E	Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic	Eukaryotes	220	0.67	Binding ≤ 10μM
ACHB4-5-E	Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic	Eukaryotes	220	0.67	Binding ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	200	0.67	Binding ≤ 10μM
ACHE-1-E	Acetylcholine Receptor Protein Epsilon Chain (cluster #1 Of 1), Eukaryotic	Eukaryotes	200	0.67	Binding ≤ 10μM
ACHG-1-E	Acetylcholine Receptor Protein Gamma Chain (cluster #1 Of 3), Eukaryotic	Eukaryotes	200	0.67	Binding ≤ 10μM
Q8BGP7-1-E	Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.85	Binding ≤ 10μM
ACHA3-2-E	Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #2 Of 3), Eukaryotic	Eukaryotes	7	0.82	Functional ≤ 10μM
ACHA4-2-E	Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #2 Of 2), Eukaryotic	Eukaryotes	120	0.69	Functional ≤ 10μM
ACHD-1-E	Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 1), Eukaryotic	Eukaryotes	0	0.00	Functional ≤ 10μM
Z104281-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta2 (cluster #2 Of 2), Other	Other	0	0.00	Binding ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	17	0.78	Binding ≤ 10μM
Z104284-1-O	Neuronal Acetylcholine Receptor; Alpha2/beta4 (cluster #1 Of 1), Other	Other	0	0.00	Binding ≤ 10μM
Z104285-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #1 Of 1), Other	Other	0	0.00	Binding ≤ 10μM
Z104286-2-O	Neuronal Acetylcholine Receptor; Alpha2/beta2 (cluster #2 Of 2), Other	Other	0	0.00	Binding ≤ 10μM
Z104287-3-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #3 Of 3), Other	Other	700	0.62	Binding ≤ 10μM
Z104288-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 2), Other	Other	0	0.00	Binding ≤ 10μM
Z104289-2-O	Neuronal Acetylcholine Receptor; Alpha4/beta4 (cluster #2 Of 2), Other	Other	0	0.00	Binding ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	8	0.81	Binding ≤ 10μM
Z104282-1-O	Acetylcholine Receptor; Alpha1/beta1/delta/gamma (cluster #1 Of 1), Other	Other	0	0.00	Functional ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 2), Other	Other	50	0.73	Functional ≤ 10μM
Z104287-2-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #2 Of 2), Other	Other	16	0.78	Functional ≤ 10μM
Z104288-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 1), Other	Other	28	0.76	Functional ≤ 10μM
Z104290-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 1), Other	Other	14	0.79	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	37	0.74	Functional ≤ 10μM
Z80175-1-O	IMR-32 (Neuroblastoma Cells) (cluster #1 Of 2), Other	Other	7	0.82	Functional ≤ 10μM
Z80545-3-O	TE-671 (cluster #3 Of 3), Other	Other	1260	0.59	Functional ≤ 10μM
Z81074-1-O	K177cell Line (cluster #1 Of 1), Other	Other	350	0.65	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)	1.98	4.48	-44.23	2	2	1	29	209.7	1	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Z80545-3-O
target.type = F10
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 'Z80545-3-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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        "target.name": "Z80545-3-O",        
        "target.type": "F10"        

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ZINC 12

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Structural Results Found: (before additional filtering)

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