ZINC 12

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ERCC5-1-E	DNA Excision Repair Protein ERCC-5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
FEN1-1-E	Flap Endonuclease 1 (cluster #1 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
RNH1-2-E	Ribonuclease H1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	5900	0.56	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)	0.38	2.48	-12.16	2	5	0	75	178.147	0	↓ MOL2 SDF SMILES Flexibase

13475020

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
ERCC5-2-E	DNA Excision Repair Protein ERCC-5 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1870	0.38	Binding ≤ 10μM
FEN1-2-E	Flap Endonuclease 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1750	0.38	Binding ≤ 10μM
Q7ZJM1-1-V	Human Immunodeficiency Virus Type 1 Integrase (cluster #1 Of 6), Viral	Viruses	7800	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)	1.90	10.46	-48.06	0	5	-1	84	283.259	6	↓ MOL2 SDF SMILES Flexibase

22113519

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ERCC5-2-E	DNA Excision Repair Protein ERCC-5 (cluster #2 Of 2), Eukaryotic	Eukaryotes	9850	0.44	Binding ≤ 10μM
FEN1-2-E	Flap Endonuclease 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	5530	0.46	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	8.43	-47.24	0	4	-1	74	260.052	4	↓ MOL2 SDF SMILES Flexibase

28456590

Analogs

2579919

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

AKOS (make-on-demand)
- AKOS002392815

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ERCC5-2-E	DNA Excision Repair Protein ERCC-5 (cluster #2 Of 2), Eukaryotic	Eukaryotes	7000	0.45	Binding ≤ 10μM
FEN1-2-E	Flap Endonuclease 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1820	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)	1.43	7.44	-49.92	0	4	-1	74	260.052	4	↓ MOL2 SDF SMILES Flexibase

28221410

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ERCC5-2-E	DNA Excision Repair Protein ERCC-5 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1600	0.41	Binding ≤ 10μM
FEN1-2-E	Flap Endonuclease 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	3500	0.38	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)	1.94	10.93	-49.22	0	4	-1	74	267.26	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = ERCC5_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 'ERCC5\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=ERCC5_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": "ERCC5_HUMAN"        

    });
</script>