ZINC 12

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)	2.24	3.6	-12.35	0	7	0	77	389.818	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.24	3.67	-40.74	1	7	1	78	390.826	4	↓ MOL2 SDF SMILES Flexibase

35323148

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACOD1-1-E	Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4	0.44	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)	2.83	7.55	-16.1	2	6	0	71	387.867	4	↓ MOL2 SDF SMILES Flexibase

40915624

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACOD1-1-E	Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	700	0.28	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)	2.16	7.2	-19.42	2	7	0	82	434.418	4	↓ MOL2 SDF SMILES Flexibase

848329

Analogs

39884346

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And 6 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACOD-1-E	Acyl-CoA Desaturase (cluster #1 Of 1), Eukaryotic	Eukaryotes	3	0.41	Binding ≤ 10μM
ACOD1-1-E	Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2	0.42	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)	5.65	2.15	-17.25	1	4	0	51	418.44	7	↓ MOL2 SDF SMILES Flexibase

10971638

Analogs

36639547
36639963

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACOD-1-E	Acyl-CoA Desaturase (cluster #1 Of 1), Eukaryotic	Eukaryotes	915	0.31	Binding ≤ 10μM
ACOD1-1-E	Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	193	0.35	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)	4.99	1.92	-17.29	1	4	0	51	392.402	6	↓ MOL2 SDF SMILES Flexibase

10971696

Analogs

36639547

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ACOD-1-E	Acyl-CoA Desaturase (cluster #1 Of 1), Eukaryotic	Eukaryotes	145	0.33	Binding ≤ 10μM
ACOD1-1-E	Acyl-CoA Desaturase 1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	76	0.34	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)	4.60	2.28	-19.03	1	5	0	60	422.428	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = ACOD1_MOUSE
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 'ACOD1\\_MOUSE' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=ACOD1_MOUSE&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": "ACOD1_MOUSE"        

    });
</script>