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)	3.73	11.44	-194.38	0	8	-3	155	455.445	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.73	9.46	-111.23	1	8	-2	152	456.453	7	↓ MOL2 SDF SMILES Flexibase

4025276

Analogs

4025278
4025279
4025280

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Vendors

eMolecules
- 1065810
IBScreen NP
- STOCK1N-04998
Mcule
- MCULE-8594997710
Otava
- 0105880011
Pharmeks
- PHAR185800

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
APEX1-2-E	DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic	Eukaryotes	8000	0.26	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	2.64	-96.51	0	8	-2	128	370.313	6	↓ MOL2 SDF SMILES Flexibase

4025278

Analogs

4025279
4025280
4025276

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

eMolecules
- 1065810
IBScreen NP
- STOCK1N-04998
Mcule
- MCULE-8594997710
Otava
- 0105880011
Pharmeks
- PHAR185800

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
APEX1-2-E	DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic	Eukaryotes	8000	0.26	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	2.6	-113.15	0	8	-2	128	370.313	6	↓ MOL2 SDF SMILES Flexibase

4025279

Analogs

4025280
4025276

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

eMolecules
- 1065810
IBScreen NP
- STOCK1N-04998
Mcule
- MCULE-8594997710
Otava
- 0105880011
Pharmeks
- PHAR185800

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
APEX1-2-E	DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic	Eukaryotes	8000	0.26	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	2.65	-98.52	0	8	-2	128	370.313	6	↓ MOL2 SDF SMILES Flexibase

4025280

Analogs

4025276

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

eMolecules
- 1065810
IBScreen NP
- STOCK1N-04998
Mcule
- MCULE-8594997710
Otava
- 0105880011
Pharmeks
- PHAR185800

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
APEX1-2-E	DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic	Eukaryotes	8000	0.26	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	2.63	-96.65	0	8	-2	128	370.313	6	↓ MOL2 SDF SMILES Flexibase

2276490

Analogs

5361010
5361014
37035680
37035721

Draw Identity 99% 90% 80% 70%

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Popular Name:

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Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
APEX1-2-E	DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic	Eukaryotes	5000	0.31	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)	2.51	11.51	-101.45	0	6	-2	107	368.432	9	↓ MOL2 SDF SMILES Flexibase

4713641

Analogs

39371073

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
APEX1-2-E	DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic	Eukaryotes	6000	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)	2.42	1.9	-136.46	0	6	-2	102	288.255	5	↓ MOL2 SDF SMILES Flexibase

2371739

Analogs

4577791

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Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
APEX1-2-E	DNA-(apurinic Or Apyrimidinic Site) Lyase (cluster #2 Of 2), Eukaryotic	Eukaryotes	10000	0.23	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)	3.52	10.17	-199.49	0	9	-3	164	439.377	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = APEX1-2-E
target.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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'APEX1-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=APEX1-2-E&target.type=B10&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', {
        "target.name": "APEX1-2-E",        
        "target.type": "B10"        

    });
</script>