ZINC 12

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

36330407

Analogs

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	8	0.44	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.44	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	7.7	0.44	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	7.7	0.44	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	7.7	0.44	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	7.7	0.44	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)	2.32	10.72	-36.47	2	6	1	68	349.414	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.32	10.21	-13.62	1	6	0	67	348.406	5	↓ MOL2 SDF SMILES Flexibase

36330408

Analogs

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	8	0.44	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.44	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	7.7	0.44	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	7.7	0.44	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	7.7	0.44	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	7.7	0.44	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)	2.32	10.72	-37.18	2	6	1	68	349.414	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.32	10.21	-13.4	1	6	0	67	348.406	5	↓ MOL2 SDF SMILES Flexibase

36330417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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	1	0.39	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1	0.39	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1	0.39	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1	0.39	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1	0.39	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)	2.80	14.66	-40.69	1	8	1	86	435.504	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.80	14.15	-20.48	0	8	0	85	434.496	9	↓ MOL2 SDF SMILES Flexibase

36330418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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	1	0.39	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	1	0.39	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1	0.39	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1	0.39	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1	0.39	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1	0.39	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)	2.80	15.13	-38.95	1	8	1	86	435.504	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.80	14.61	-17.64	0	8	0	85	434.496	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 88360
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 = 88360 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=88360&filter.purchasability=annotated

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<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": "88360"        

    });
</script>

ZINC 12

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Physical Representations

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Structural Results Found: (before additional filtering)

SQL Query Was

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