ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNN1-2-E	Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4500	0.19	Binding ≤ 10μM
KCNN2-2-E	Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4500	0.19	Binding ≤ 10μM
KCNN3-2-E	Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4500	0.19	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)	2.35	6.65	-80.57	1	6	2	57	558.848	6	↓ MOL2 SDF SMILES Flexibase

1655706

Analogs

2583341
5820628

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNN1-1-E	Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1700	0.24	Binding ≤ 10μM
KCNN2-1-E	Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1700	0.24	Binding ≤ 10μM
KCNN3-1-E	Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2000	0.23	Binding ≤ 10μM
KCNN1-1-E	Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	900	0.25	Functional ≤ 10μM
KCNN2-1-E	Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	900	0.25	Functional ≤ 10μM
KCNN3-1-E	Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	900	0.25	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	316	0.27	Functional ≤ 10μM
Z50597-3-O	Rattus Norvegicus (cluster #3 Of 12), Other	Other	900	0.25	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)	0.11	15.83	-56.47	4	4	2	60	456.678	11	↓ MOL2 SDF SMILES Flexibase

3978083

Analogs

4245635
38153422

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACHA7-1-E	Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic	Eukaryotes	4790	0.17	Binding ≤ 10μM
KCNN1-1-E	Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3000	0.17	Binding ≤ 10μM
KCNN2-1-E	Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3000	0.17	Binding ≤ 10μM
KCNN3-1-E	Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3000	0.17	Binding ≤ 10μM
KCNN1-1-E	Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7500	0.16	Functional ≤ 10μM
KCNN2-1-E	Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7500	0.16	Functional ≤ 10μM
KCNN3-1-E	Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7500	0.16	Functional ≤ 10μM
Z104283-1-O	Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other	Other	9720	0.16	Binding ≤ 10μM
Z104288-1-O	Neuronal Acetylcholine Receptor; Alpha3/beta4 (cluster #1 Of 2), Other	Other	2000	0.18	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)	1.99	3.03	-94.42	3	8	2	81	610.751	2	↓ MOL2 SDF SMILES Flexibase

4097383

Analogs

3831264

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNN1-2-E	Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3500	0.19	Binding ≤ 10μM
KCNN2-2-E	Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3500	0.19	Binding ≤ 10μM
KCNN3-2-E	Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3500	0.19	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)	-1.62	6.61	-81.58	0	6	2	52	572.875	6	↓ MOL2 SDF SMILES Flexibase

3981933

Analogs

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Vendors

Sigma Aldrich (Building Blocks)
- U5883|SIGMA

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNN1-1-E	Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM
KCNN2-1-E	Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
KCNN3-1-E	Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
KCNN1-1-E	Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.38	Functional ≤ 10μM
KCNN2-1-E	Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.38	Functional ≤ 10μM
KCNN3-1-E	Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.38	Functional ≤ 10μM
Z50597-3-O	Rattus Norvegicus (cluster #3 Of 12), Other	Other	3	0.37	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)	-3.14	13.71	-72.94	2	4	2	32	426.608	0	↓ MOL2 SDF SMILES Flexibase

3960761

Analogs

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Popular Name: UCL 1684 UCL 1684

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNN1-1-E	Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.31	Binding ≤ 10μM
KCNN3-1-E	Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.31	Binding ≤ 10μM
KCNN1-1-E	Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.31	Functional ≤ 10μM
KCNN2-1-E	Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3	0.31	Functional ≤ 10μM
KCNN3-1-E	Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), 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)	-2.52	16.38	-67.76	2	4	2	32	494.642	0	↓ MOL2 SDF SMILES Flexibase

88330

Analogs

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And 1 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNN1-1-E	Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4	0.62	Binding ≤ 10μM
KCNN2-1-E	Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	59	0.53	Binding ≤ 10μM
KCNN3-1-E	Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	59	0.53	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)	3.01	7.91	-9.82	1	4	0	51	268.345	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.01	8.04	-74.99	3	4	2	53	270.361	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.01	8.17	-33	2	4	1	52	269.353	3	↓ MOL2 SDF SMILES Flexibase

257247

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNN1-1-E	Small Conductance Calcium-activated Potassium Channel Protein 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	43	0.57	Binding ≤ 10μM
KCNN2-1-E	Small Conductance Calcium-activated Potassium Channel Protein 2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	543	0.49	Binding ≤ 10μM
KCNN3-1-E	Small Conductance Calcium-activated Potassium Channel Protein 3 (cluster #1 Of 2), Eukaryotic	Eukaryotes	543	0.49	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)	2.61	-1.04	-10.28	1	4	0	50	254.318	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.61	-0.91	-33.21	2	4	1	51	255.326	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = KCNN1_HUMAN
anotation.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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'KCNN1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

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Embed Link to Results

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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        "annotation.name": "KCNN1_HUMAN"        

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