ZINC 12

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	7000	0.60	Binding ≤ 10μM
EGLN2-1-E	Hypoxia-inducible Factor Prolyl Hydroxylase 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	7000	0.60	Binding ≤ 10μM
EGLN3-1-E	Egl Nine Homolog 3 (cluster #1 Of 1), Eukaryotic	Eukaryotes	7000	0.60	Binding ≤ 10μM
KDM4A-2-E	Lysine-specific Demethylase 4A (cluster #2 Of 2), Eukaryotic	Eukaryotes	700	0.72	Binding ≤ 10μM
KDM4C-2-E	Lysine-specific Demethylase 4C (cluster #2 Of 2), Eukaryotic	Eukaryotes	9400	0.59	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)	0.59	3.86	-104.44	0	5	-2	93	165.104	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.23	6.89	-24.83	2	12	0	133	482.925	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.59	4.26	-63.76	1	5	-1	94	166.112	2	↓ MOL2 SDF SMILES Flexibase

40379392

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Chembo Pharma
- KB-272615
Sphinx Make-on-demand
- IMY-4-0052

Activity (Go SEA)

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	2820	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)	-1.90	1.74	-57.56	2	7	-1	111	219.18	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.90	1.23	-93.54	1	7	-2	109	218.172	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.90	-0.26	-11.85	3	7	0	108	220.188	3	↓ MOL2 SDF SMILES Flexibase

40410832

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

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	3	0.43	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)	3.21	6.15	-130.6	0	8	-2	132	424.5	7	↓ MOL2 SDF SMILES Flexibase

895030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Succinic acid Succinic acid

Find On: PubMed — Wikipedia — Google

Vendors

And 70 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1-2-E	Egl Nine Homolog 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3000	0.97	Binding ≤ 10μM
Z80583-4-O	Vero (Kidney Cells) (cluster #4 Of 7), Other	Other	1	1.58	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)	-0.65	3.54	-101.06	0	4	-2	80	116.072	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.65	1.56	-42.51	1	4	-1	77	117.08	3	↓ MOL2 SDF SMILES Flexibase

2044729

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 54 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1-2-E	Egl Nine Homolog 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	8500	0.89	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)	-1.75	1.37	-41.83	2	3	0	56	113.116	1	↓ MOL2 SDF SMILES Flexibase

1534133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-Oxalylglycine N-Oxalylglycine

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
EGLN1-2-E	Egl Nine Homolog 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	8000	0.71	Binding ≤ 10μM
EGLN2-2-E	Hypoxia-inducible Factor Prolyl Hydroxylase 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	842	0.85	Binding ≤ 10μM
P4HA1-2-E	Prolyl 4-hydroxylase Alpha-1 Subunit (cluster #2 Of 2), Eukaryotic	Eukaryotes	540	0.88	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)	-3.00	-1.85	-95.16	1	6	-2	109	145.07	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = EGLN1_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 'EGLN1\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=EGLN1_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": "EGLN1_HUMAN"        

    });
</script>