ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36330303

Analogs

39566906
39566907
39566908
39566909

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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	900	0.28	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	900	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	900	0.28	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	900	0.28	Binding ≤ 1μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	900	0.28	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	900	0.28	Binding ≤ 1μM
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	900	0.28	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	900	0.28	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	900	0.28	Binding ≤ 10μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	900	0.28	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)	6.84	15.24	-50.98	0	3	-1	57	417.654	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.84	13.28	-5.64	1	3	0	54	418.662	8	↓ MOL2 SDF SMILES Flexibase

36330304

Analogs

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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	900	0.28	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	900	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	900	0.28	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	900	0.28	Binding ≤ 1μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	900	0.28	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	900	0.28	Binding ≤ 1μM
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	900	0.28	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	900	0.28	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	900	0.28	Binding ≤ 10μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	900	0.28	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)	6.84	15.3	-46.6	0	3	-1	57	417.654	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.84	13.33	-5.72	1	3	0	54	418.662	8	↓ MOL2 SDF SMILES Flexibase

36330305

Analogs

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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	900	0.28	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	900	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	900	0.28	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	900	0.28	Binding ≤ 1μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	900	0.28	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	900	0.28	Binding ≤ 1μM
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	900	0.28	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	900	0.28	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	900	0.28	Binding ≤ 10μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	900	0.28	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)	6.84	15.14	-46.5	0	3	-1	57	417.654	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.84	13.18	-5.68	1	3	0	54	418.662	8	↓ MOL2 SDF SMILES Flexibase

36330306

Analogs

36612003
36612004
36612005
36612006

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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	190	0.29	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	190	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	190	0.29	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	190	0.29	Binding ≤ 1μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	190	0.29	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	190	0.29	Binding ≤ 1μM
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	190	0.29	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	190	0.29	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	190	0.29	Binding ≤ 10μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	190	0.29	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)	5.98	16.94	-134.96	0	5	-2	97	460.655	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.98	14.96	-47.69	1	5	-1	94	461.663	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.98	14.96	-60.27	1	5	-1	94	461.663	10	↓ MOL2 SDF SMILES Flexibase

36330307

Analogs

36612003
36612004
36612005
36612006

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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	190	0.29	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	190	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	190	0.29	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	190	0.29	Binding ≤ 1μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	190	0.29	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	190	0.29	Binding ≤ 1μM
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	190	0.29	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	190	0.29	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	190	0.29	Binding ≤ 10μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	190	0.29	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)	5.98	16.96	-135.95	0	5	-2	97	460.655	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.98	14.96	-47.84	1	5	-1	94	461.663	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.98	14.99	-60.79	1	5	-1	94	461.663	10	↓ MOL2 SDF SMILES Flexibase

36330308

Analogs

36612003
36612004
36612005
36612006

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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	190	0.29	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	190	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	190	0.29	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	190	0.29	Binding ≤ 1μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	190	0.29	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	190	0.29	Binding ≤ 1μM
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	190	0.29	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	190	0.29	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	190	0.29	Binding ≤ 10μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	190	0.29	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)	5.98	17	-134.82	0	5	-2	97	460.655	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.98	14.87	-47.53	1	5	-1	94	461.663	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.98	15.01	-60.46	1	5	-1	94	461.663	10	↓ MOL2 SDF SMILES Flexibase

36330309

Analogs

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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	190	0.29	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	190	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	190	0.29	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	190	0.29	Binding ≤ 1μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	190	0.29	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	190	0.29	Binding ≤ 1μM
FNTB_RAT	Q02293	Protein Farnesyltransferase Beta Subunit, Rat	190	0.29	Binding ≤ 10μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	190	0.29	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	190	0.29	Binding ≤ 10μM
FNTA_RAT	Q04631	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Rat	190	0.29	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)	5.98	17.03	-134.21	0	5	-2	97	460.655	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.98	15.09	-47.89	1	5	-1	94	461.663	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.98	15.05	-59.58	1	5	-1	94	461.663	10	↓ MOL2 SDF SMILES Flexibase

36330349

Analogs

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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	3000	0.22	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	3000	0.22	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	3000	0.22	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	3000	0.22	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)	6.96	17.31	-140.74	0	5	-2	97	488.709	11	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.96	15.38	-49.5	1	5	-1	94	489.717	11	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.96	15.3	-54.42	1	5	-1	94	489.717	11	↓ MOL2 SDF SMILES Flexibase

36330350

Analogs

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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	3000	0.22	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	3000	0.22	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	3000	0.22	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	3000	0.22	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)	6.96	18.17	-138.02	0	5	-2	97	488.709	11	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.96	16.26	-48.65	1	5	-1	94	489.717	11	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.96	16.04	-61.22	1	5	-1	94	489.717	11	↓ MOL2 SDF SMILES Flexibase

36330351

Analogs

36612003
36612004
36612005
36612006

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-3-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	3000	0.22	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	3000	0.22	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	3000	0.22	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	3000	0.22	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)	6.96	17.91	-136.94	0	5	-2	97	488.709	11	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.96	15.94	-48.53	1	5	-1	94	489.717	11	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.96	15.88	-60.93	1	5	-1	94	489.717	11	↓ MOL2 SDF SMILES Flexibase

36330352

Analogs

36612003
36612004
36612005
36612006

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	40	0.30	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	40	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	40	0.30	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	40	0.30	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	40	0.30	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	40	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)	6.45	17.76	-142.53	0	5	-2	97	474.682	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.45	15.77	-49.6	1	5	-1	94	475.69	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.45	15.75	-62.65	1	5	-1	94	475.69	10	↓ MOL2 SDF SMILES Flexibase

36330353

Analogs

36612003
36612004
36612005
36612006

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-3-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	40	0.30	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	40	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	40	0.30	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	40	0.30	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	40	0.30	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	40	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)	6.45	17.74	-136.53	0	5	-2	97	474.682	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.45	15.74	-48.16	1	5	-1	94	475.69	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.45	15.75	-60.95	1	5	-1	94	475.69	10	↓ MOL2 SDF SMILES Flexibase

36330354

Analogs

36612003
36612004
36612005
36612006

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-3-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	40	0.30	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	40	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	40	0.30	Binding ≤ 1μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	40	0.30	Binding ≤ 1μM
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	40	0.30	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	40	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)	6.45	17.34	-135.97	0	5	-2	97	474.682	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.45	15.38	-48.35	1	5	-1	94	475.69	10	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.45	15.35	-60.48	1	5	-1	94	475.69	10	↓ MOL2 SDF SMILES Flexibase

36330355

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-3-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	1200	0.30	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	1200	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1200	0.30	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1200	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)	6.12	14.51	-45.71	0	3	-1	57	389.6	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.12	12.54	-6.27	1	3	0	54	390.608	8	↓ MOL2 SDF SMILES Flexibase

36330356

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-3-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	1200	0.30	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	1200	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1200	0.30	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1200	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)	6.12	14.39	-46.27	0	3	-1	57	389.6	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.12	12.41	-6.25	1	3	0	54	390.608	8	↓ MOL2 SDF SMILES Flexibase

36330357

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-3-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	1200	0.30	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	1200	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1200	0.30	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1200	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)	6.12	14.65	-46.07	0	3	-1	57	389.6	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.12	12.67	-6.12	1	3	0	54	390.608	8	↓ MOL2 SDF SMILES Flexibase

36330358

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-3-E	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	1200	0.30	Binding ≤ 10μM
FNTB-3-E	Protein Farnesyltransferase Beta Subunit (cluster #3 Of 3), Eukaryotic	Eukaryotes	1200	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
FNTB_HUMAN	P49356	Protein Farnesyltransferase Beta Subunit, Human	1200	0.30	Binding ≤ 10μM
FNTA_HUMAN	P49354	Protein Farnesyltransferase/geranylgeranyltransferase Type I Alpha Subunit, Human	1200	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)	6.12	14.64	-46.11	0	3	-1	57	389.6	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.12	12.66	-6.15	1	3	0	54	390.608	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 88224
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 = 88224 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Structural Results Found: (before additional filtering)

SQL Query Was

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