ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DYN1-1-E	Dynamin-1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	3150	0.35	Binding ≤ 10μM
Z50425-6-O	Plasmodium Falciparum (cluster #6 Of 22), Other	Other	2100	0.36	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)	4.88	17.81	-28.79	0	1	1	0	312.606	17	↓ MOL2 SDF SMILES Flexibase

6845519

Analogs

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Vendors

And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DYN1-1-E	Dynamin-1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	8150	0.40	Binding ≤ 10μM
Z50425-6-O	Plasmodium Falciparum (cluster #6 Of 22), Other	Other	900	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)	2.85	5.16	-28.94	0	1	1	0	256.498	13	↓ MOL2 SDF SMILES Flexibase

36177047

Analogs

38158019
38158025
5106221

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Vendors

Aldrich CPR
- L498068|ALDRICH

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DYN1-1-E	Dynamin-1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	9360	0.35	Binding ≤ 10μM
Z50425-6-O	Plasmodium Falciparum (cluster #6 Of 22), Other	Other	600	0.44	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)	2.22	12.14	-28.64	1	2	1	20	286.524	15	↓ MOL2 SDF SMILES Flexibase

257134

Analogs

5774686

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Popular Name:

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And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DYN1-2-E	Dynamin-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3600	0.30	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)	4.09	-2.41	-17.52	3	6	0	91	336.347	4	↓ MOL2 SDF SMILES Flexibase

6846023

Analogs

1532339

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Vendors

And 20 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DYN1-1-E	Dynamin-1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4370	0.38	Binding ≤ 10μM
Z50425-6-O	Plasmodium Falciparum (cluster #6 Of 22), Other	Other	800	0.43	Functional ≤ 10μM
Z80064-2-O	CCRF-CEM (T-cell Leukemia) (cluster #2 Of 9), Other	Other	3250	0.38	Functional ≤ 10μM
Z80224-6-O	MCF7 (Breast Carcinoma Cells) (cluster #6 Of 14), Other	Other	750	0.43	Functional ≤ 10μM
Z80682-5-O	A549 (Lung Carcinoma Cells) (cluster #5 Of 11), Other	Other	760	0.43	Functional ≤ 10μM
Z81072-7-O	Jurkat (Acute Leukemic T-cells) (cluster #7 Of 10), Other	Other	1980	0.40	Functional ≤ 10μM
Z81247-6-O	HeLa (Cervical Adenocarcinoma Cells) (cluster #6 Of 9), Other	Other	4100	0.38	Functional ≤ 10μM
Z81252-6-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #6 Of 11), Other	Other	4500	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)	3.87	5.4	-28.88	0	1	1	0	284.552	15	↓ MOL2 SDF SMILES Flexibase

1545440

Analogs

1677577
1677582
1685531
1689803
1706212

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Popular Name: Tetradecylamine Tetradecylamine

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DYN1-1-E	Dynamin-1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	8740	0.47	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)	5.61	8.88	-39.69	3	1	1	28	214.417	12	↓ MOL2 SDF SMILES Flexibase

49872225

Analogs

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Vendors

Chembo Pharma
- KB-272094

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
DYN1-2-E	Dynamin-1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	5000	0.25	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)	5.29	14.31	-44.29	2	5	1	62	409.598	13	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.29	11.84	-7.37	1	5	0	61	408.59	13	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = DYN1_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 'DYN1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=DYN1_HUMAN&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', {
        "annotation.name": "DYN1_HUMAN"        

    });
</script>