ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

36330342

Analogs

38520465
39942661
39942662
39942663
39942664

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-3-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	8000	0.23	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	8000	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	8000	0.23	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	8000	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)	6.63	15.73	-121.37	0	4	-2	80	430.629	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.63	14.04	-49.8	1	4	-1	77	431.637	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.63	12.07	-7.76	2	4	0	75	432.645	9	↓ MOL2 SDF SMILES Flexibase

36330343

Analogs

38520465
39942661
39942662
39942663
39942664

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-3-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	8000	0.23	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	8000	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	8000	0.23	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	8000	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)	6.63	15.6	-122.49	0	4	-2	80	430.629	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.63	13.9	-50.37	1	4	-1	77	431.637	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.63	11.92	-7.63	2	4	0	75	432.645	9	↓ MOL2 SDF SMILES Flexibase

36330344

Analogs

38520465
39942661
39942662
39942663
39942664

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-3-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	8000	0.23	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	8000	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	8000	0.23	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	8000	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)	6.63	15.85	-120.97	0	4	-2	80	430.629	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.63	14.16	-50.38	1	4	-1	77	431.637	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.63	12.18	-8.09	2	4	0	75	432.645	9	↓ MOL2 SDF SMILES Flexibase

36330345

Analogs

38520465
39942661
39942662
39942663
39942664

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-3-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	8000	0.23	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	8000	0.23	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	8000	0.23	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	8000	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)	6.63	15.81	-121.13	0	4	-2	80	430.629	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.63	14.12	-50.35	1	4	-1	77	431.637	9	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.63	12.14	-8.03	2	4	0	75	432.645	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 88250
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 = 88250 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=88250&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": "88250"        

    });
</script>

ZINC 12

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Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results