ZINC 12

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

66124461

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1-1-E	Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1000	0.49	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	1000	0.49	Binding ≤ 1μM
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	1000	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)	1.40	7.48	-48.57	1	6	-1	87	227.203	2	↓ MOL2 SDF SMILES Flexibase

66128412

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1-1-E	Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	398	0.50	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	398.107171	0.50	Binding ≤ 1μM
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	398.107171	0.50	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)	2.18	8.09	-46.05	1	6	-1	87	306.099	2	↓ MOL2 SDF SMILES Flexibase

66128414

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1-1-E	Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	398	0.47	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	398.107171	0.47	Binding ≤ 1μM
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	398.107171	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)	1.43	6.77	-49.54	1	7	-1	96	257.229	3	↓ MOL2 SDF SMILES Flexibase

66128417

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1-1-E	Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	316	0.41	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	316.227766	0.41	Binding ≤ 1μM
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	316.227766	0.41	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)	2.34	7.27	-45.21	1	7	-1	96	311.199	4	↓ MOL2 SDF SMILES Flexibase

66128581

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1-1-E	Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	158	0.41	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	158.489319	0.41	Binding ≤ 1μM
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	158.489319	0.41	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)	3.08	7.87	-41.92	1	7	-1	96	390.095	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.08	7.4	-90.95	0	7	-2	94	389.087	4	↓ MOL2 SDF SMILES Flexibase

66128583

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1-1-E	Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	79	0.45	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	79.4328235	0.45	Binding ≤ 1μM
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	79.4328235	0.45	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)	2.87	8.89	-43.19	1	6	-1	87	329.645	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.87	8.42	-89.29	0	6	-2	85	328.637	3	↓ MOL2 SDF SMILES Flexibase

66128585

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1-1-E	Egl Nine Homolog 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	100	0.45	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	100	0.45	Binding ≤ 1μM
EGLN1_HUMAN	Q9GZT9	Egl Nine Homolog 1, Human	100	0.45	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)	2.36	8.52	-43.24	1	6	-1	87	313.19	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.36	8.05	-88.62	0	6	-2	85	312.182	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 472136
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 472136 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=472136&filter.purchasability=annotated

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', {
        "ring.id": "472136"        

    });
</script>

ZINC 12

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Physical Representations

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Physical Representations

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Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results