ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

13796728

Analogs

38730187

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	90	0.33	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	1300	0.27	Binding ≤ 10μM
PGTB1-1-E	Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	90	0.33	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	90	0.33	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	90	0.33	Binding ≤ 1μM
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	90	0.33	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1300	0.27	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1300	0.27	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)	1.77	11.05	-86.93	4	7	0	111	406.486	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.77	10.48	-61.7	3	7	-1	110	405.478	9	↓ MOL2 SDF SMILES Flexibase

13796734

Analogs

38730187

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	900	0.26	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	900	0.26	Binding ≤ 10μM
PGTB1-1-E	Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	150	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	150	0.30	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	900	0.26	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	150	0.30	Binding ≤ 1μM
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	150	0.30	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	900	0.26	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	150	0.30	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)	2.59	12.37	-90.75	4	7	0	111	434.54	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.59	11.84	-64.81	3	7	-1	110	433.532	9	↓ MOL2 SDF SMILES Flexibase

13796749

Analogs

38730187

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	6100	0.24	Binding ≤ 10μM
PGTB1-1-E	Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	6100	0.24	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	6100	0.24	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	6100	0.24	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)	1.74	10.84	-57.96	4	7	0	111	406.486	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.74	10.34	-61.5	3	7	-1	110	405.478	9	↓ MOL2 SDF SMILES Flexibase

13796755

Analogs

38730187

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	10000	0.23	Functional ≤ 10μM
PGTB1-1-E	Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	10000	0.23	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PGTB1_MOUSE	Q8BUY9	Geranylgeranyl Transferase Type I Beta Subunit, Mouse	10000	0.23	Functional ≤ 10μM
FNTA_MOUSE	Q61239	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Mouse	10000	0.23	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)	3.84	10.56	-44.03	4	7	1	97	421.521	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.84	10.56	-16.42	3	7	0	96	420.513	10	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 228014
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 = 228014 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=228014&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": "228014"        

    });
</script>

ZINC 12

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Physical Representations

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Activity (Go SEA)

Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results