ZINC 12

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

13281167

Analogs

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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	0.32	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.32	Binding ≤ 10μM
PGTB1-1-E	Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	54	0.29	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	8000	0.20	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	8000	0.20	Functional ≤ 10μM
PGTB1-1-E	Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	8000	0.20	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	13	0.32	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	0.1	0.40	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	0.1	0.40	Binding ≤ 1μM
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	13	0.32	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	0.1	0.40	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	0.1	0.40	Binding ≤ 10μM
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	140	0.27	Functional ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	11	0.32	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	11	0.32	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)	3.39	11.5	-23.23	2	7	0	97	471.605	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.39	12.15	-118.47	4	7	2	100	473.621	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.39	11.98	-48.46	3	7	1	98	472.613	6	↓ MOL2 SDF SMILES Flexibase

13281168

Analogs

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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	0.32	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.32	Binding ≤ 10μM
PGTB1-1-E	Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	54	0.29	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	8000	0.20	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	8000	0.20	Functional ≤ 10μM
PGTB1-1-E	Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	8000	0.20	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	13	0.32	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	0.1	0.40	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	0.1	0.40	Binding ≤ 1μM
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	13	0.32	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	0.1	0.40	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	0.1	0.40	Binding ≤ 10μM
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	140	0.27	Functional ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	11	0.32	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	11	0.32	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)	3.39	11.51	-24.4	2	7	0	97	471.605	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.39	12.13	-128.88	4	7	2	100	473.621	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.39	11.99	-46.04	3	7	1	98	472.613	6	↓ MOL2 SDF SMILES Flexibase

13281170

Analogs

Draw Identity 99% 90% 80% 70%

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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	0.32	Binding ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.32	Binding ≤ 10μM
PGTB1-1-E	Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	54	0.29	Binding ≤ 10μM
FNTA-1-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	8000	0.20	Functional ≤ 10μM
FNTB-1-E	Protein Farnesyltransferase Beta Subunit (cluster #1 Of 2), Eukaryotic	Eukaryotes	8000	0.20	Functional ≤ 10μM
PGTB1-1-E	Geranylgeranyl Transferase Type I Beta Subunit (cluster #1 Of 1), Eukaryotic	Eukaryotes	8000	0.20	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	13	0.32	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	0.1	0.40	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	0.1	0.40	Binding ≤ 1μM
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	13	0.32	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	0.1	0.40	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	0.1	0.40	Binding ≤ 10μM
PGTB1_HUMAN	P53609	Geranylgeranyl Transferase Type I Beta Subunit, Human	140	0.27	Functional ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	11	0.32	Functional ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	11	0.32	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)	3.39	11.66	-14.34	2	7	0	97	471.605	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.39	12.27	-118.05	4	7	2	100	473.621	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.39	12.13	-48.08	3	7	1	98	472.613	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 132874
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 = 132874 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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": "132874"        

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ZINC 12

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Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

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