ZINC 12

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

1547932

Analogs

3642651
1530795

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Popular Name: LS-47470 LS-47470

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACM1-2-E	Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	700	0.62	Binding ≤ 10μM
ACM2-3-E	Muscarinic Acetylcholine Receptor M2 (cluster #3 Of 6), Eukaryotic	Eukaryotes	910	0.60	Binding ≤ 10μM
ACM3-2-E	Muscarinic Acetylcholine Receptor M3 (cluster #2 Of 5), Eukaryotic	Eukaryotes	1800	0.57	Binding ≤ 10μM
ACM5-1-E	Muscarinic Acetylcholine Receptor M5 (cluster #1 Of 4), Eukaryotic	Eukaryotes	2300	0.56	Binding ≤ 10μM
Z104303-2-O	Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other	Other	13	0.79	Binding ≤ 10μM
Z50512-2-O	Cavia Porcellus (cluster #2 Of 7), Other	Other	4300	0.54	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)	-3.28	8	-35.62	0	3	1	20	195.286	2	↓ MOL2 SDF SMILES Flexibase

4832953

Analogs

171850

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Vendors

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
5HT4R-1-E	Serotonin 4 (5-HT4) Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	32	0.58	Binding ≤ 10μM
Z50512-2-O	Cavia Porcellus (cluster #2 Of 7), Other	Other	1000	0.47	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)	2.81	-0.02	-37.49	2	4	1	42	249.334	5	↓ MOL2 SDF SMILES Flexibase

6164

Analogs

2546079

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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
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
Z50512-2-O	Cavia Porcellus (cluster #2 Of 7), Other	Other	4600	0.62	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)	0.26	3.23	-60.75	2	4	0	66	173.212	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.26	2.03	-48.26	1	4	-1	61	172.204	2	↓ MOL2 SDF SMILES Flexibase

2546079

Analogs

6164

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And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
GBRB1-3-E	GABA Receptor Beta-1 Subunit (cluster #3 Of 6), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
GBRB2-2-E	GABA Receptor Beta-2 Subunit (cluster #2 Of 7), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
GBRB3-4-E	GABA Receptor Beta-3 Subunit (cluster #4 Of 6), Eukaryotic	Eukaryotes	3000	0.64	Binding ≤ 10μM
Z50512-2-O	Cavia Porcellus (cluster #2 Of 7), Other	Other	4600	0.62	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)	0.26	3.23	-60.76	2	4	0	66	173.212	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.26	2.02	-47.01	1	4	-1	61	172.204	2	↓ MOL2 SDF SMILES Flexibase

1530795

Analogs

1547932
3642651

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Popular Name: oxotremorine oxotremorine

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACES-5-E	Acetylcholinesterase (cluster #5 Of 12), Eukaryotic	Eukaryotes	1500	0.54	Binding ≤ 10μM
ACM1-2-E	Muscarinic Acetylcholine Receptor M1 (cluster #2 Of 5), Eukaryotic	Eukaryotes	270	0.61	Binding ≤ 10μM
ACM2-3-E	Muscarinic Acetylcholine Receptor M2 (cluster #3 Of 6), Eukaryotic	Eukaryotes	1500	0.54	Binding ≤ 10μM
ACM3-2-E	Muscarinic Acetylcholine Receptor M3 (cluster #2 Of 5), Eukaryotic	Eukaryotes	930	0.56	Binding ≤ 10μM
ACM4-1-E	Muscarinic Acetylcholine Receptor M4 (cluster #1 Of 6), Eukaryotic	Eukaryotes	5	0.77	Binding ≤ 10μM
ACM5-1-E	Muscarinic Acetylcholine Receptor M5 (cluster #1 Of 4), Eukaryotic	Eukaryotes	930	0.56	Binding ≤ 10μM
ACM2-2-E	Muscarinic Acetylcholine Receptor M2 (cluster #2 Of 3), Eukaryotic	Eukaryotes	84	0.66	Functional ≤ 10μM
ACM3-1-E	Muscarinic Acetylcholine Receptor M3 (cluster #1 Of 3), Eukaryotic	Eukaryotes	50	0.68	Functional ≤ 10μM
Z104303-2-O	Muscarinic Acetylcholine Receptor (cluster #2 Of 7), Other	Other	93	0.66	Binding ≤ 10μM
Z50512-2-O	Cavia Porcellus (cluster #2 Of 7), Other	Other	44	0.69	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)	1.10	7.27	-38.95	1	3	1	25	207.297	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.10	4.79	-10.78	0	3	0	24	206.289	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = Z50512-2-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 'Z50512-2-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

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        "target.name": "Z50512-2-O",        
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