ZINC 12

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Query Details

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ZINC Item

Suppliers, Protomers, & Similar Substances

13671809

Analogs

3938050

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	106	0.31	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	42	0.33	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	106	0.31	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	106	0.31	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	106	0.31	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	106	0.31	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	42	0.33	Functional ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	138	0.31	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)	5.24	9.94	-56.91	0	6	-1	77	459.824	10	↓ MOL2 SDF SMILES Flexibase

13671811

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	786	0.28	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	1350	0.27	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	786	0.28	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	786	0.28	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	786	0.28	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	786	0.28	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	1350	0.27	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)	4.79	9.67	-55.38	0	6	-1	77	445.797	10	↓ MOL2 SDF SMILES Flexibase

13671813

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	786	0.28	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	1350	0.27	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	786	0.28	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	786	0.28	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	786	0.28	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	786	0.28	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	1350	0.27	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)	4.79	9.67	-54.09	0	6	-1	77	445.797	10	↓ MOL2 SDF SMILES Flexibase

13671815

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	32	0.33	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	0.35	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	32	0.33	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	32	0.33	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	32	0.33	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	32	0.33	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	8	0.35	Functional ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	34	0.33	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)	5.74	10.67	-56.31	0	6	-1	77	473.851	11	↓ MOL2 SDF SMILES Flexibase

13671817

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	32	0.33	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	8	0.35	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	32	0.33	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	32	0.33	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	32	0.33	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	32	0.33	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	8	0.35	Functional ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	34	0.33	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)	5.74	10.63	-57.12	0	6	-1	77	473.851	11	↓ MOL2 SDF SMILES Flexibase

13671819

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.35	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.37	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	7	0.35	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	7	0.35	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	7	0.35	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	7	0.35	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	2	0.37	Functional ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	2	0.37	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)	6.69	12.73	-56.35	0	5	-1	68	485.906	10	↓ MOL2 SDF SMILES Flexibase

13671821

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.35	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.37	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	7	0.35	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	7	0.35	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	7	0.35	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	7	0.35	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	2	0.37	Functional ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	2	0.37	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)	6.69	12.75	-55.9	0	5	-1	68	485.906	10	↓ MOL2 SDF SMILES Flexibase

13671823

Analogs

3938060

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	9	0.34	Binding ≤ 10μM
PPARD-2-E	Peroxisome Proliferator-activated Receptor Delta (cluster #2 Of 2), Eukaryotic	Eukaryotes	399	0.27	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	26	0.32	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	9	0.34	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	9	0.34	Binding ≤ 1μM
PPARD_HUMAN	Q03181	Peroxisome Proliferator-activated Receptor Delta, Human	399	0.27	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	9	0.34	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	9	0.34	Binding ≤ 10μM
PPARD_HUMAN	Q03181	Peroxisome Proliferator-activated Receptor Delta, Human	399	0.27	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	26	0.32	Functional ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	37	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)	5.91	11.39	-51.72	0	5	-1	68	497.795	10	↓ MOL2 SDF SMILES Flexibase

13671825

Analogs

3938056

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	6	0.37	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.39	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	6	0.37	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	6	0.37	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	6	0.37	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	6	0.37	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	2	0.39	Functional ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	2	0.39	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)	5.73	9.77	-52.35	0	6	-1	77	459.824	10	↓ MOL2 SDF SMILES Flexibase

13671828

Analogs

3938056

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	2227	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	2227	0.26	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	2227	0.26	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)	5.73	9.73	-53.32	0	6	-1	77	459.824	10	↓ MOL2 SDF SMILES Flexibase

13671830

Analogs

3938056

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	3	0.37	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.39	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	3	0.37	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	3	0.37	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	3	0.37	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	3	0.37	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	15	0.34	Functional ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	1	0.39	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)	5.97	10.17	-53.98	0	6	-1	77	473.851	10	↓ MOL2 SDF SMILES Flexibase

13671832

Analogs

3938056

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	1280	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	1280	0.26	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	1280	0.26	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)	5.97	10.25	-52.39	0	6	-1	77	473.851	10	↓ MOL2 SDF SMILES Flexibase

13671837

Analogs

3938052

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	11	0.34	Binding ≤ 10μM
PPARD-2-E	Peroxisome Proliferator-activated Receptor Delta (cluster #2 Of 2), Eukaryotic	Eukaryotes	5230	0.22	Binding ≤ 10μM
PPARG-1-E	Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	3110	0.23	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.38	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	11	0.34	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	11	0.34	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	11	0.34	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	11	0.34	Binding ≤ 10μM
PPARD_HUMAN	Q03181	Peroxisome Proliferator-activated Receptor Delta, Human	5230	0.22	Binding ≤ 10μM
PPARG_HUMAN	P37231	Peroxisome Proliferator-activated Receptor Gamma, Human	3110	0.23	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	1	0.38	Functional ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	100	0.30	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)	8.86	13.15	-52.5	0	5	-1	68	483.528	12	↓ MOL2 SDF SMILES Flexibase

13671839

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	42	0.34	Binding ≤ 10μM
PPARD-2-E	Peroxisome Proliferator-activated Receptor Delta (cluster #2 Of 2), Eukaryotic	Eukaryotes	834	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	42	0.34	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	42	0.34	Binding ≤ 1μM
PPARD_HUMAN	Q03181	Peroxisome Proliferator-activated Receptor Delta, Human	834	0.28	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	42	0.34	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	42	0.34	Binding ≤ 10μM
PPARD_HUMAN	Q03181	Peroxisome Proliferator-activated Receptor Delta, Human	834	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)	5.66	10.99	-53.37	0	5	-1	68	443.825	9	↓ MOL2 SDF SMILES Flexibase

13671841

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	42	0.34	Binding ≤ 10μM
PPARD-2-E	Peroxisome Proliferator-activated Receptor Delta (cluster #2 Of 2), Eukaryotic	Eukaryotes	834	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	42	0.34	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	42	0.34	Binding ≤ 1μM
PPARD_HUMAN	Q03181	Peroxisome Proliferator-activated Receptor Delta, Human	834	0.28	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	42	0.34	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	42	0.34	Binding ≤ 10μM
PPARD_HUMAN	Q03181	Peroxisome Proliferator-activated Receptor Delta, Human	834	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)	5.66	10.95	-54.18	0	5	-1	68	443.825	9	↓ MOL2 SDF SMILES Flexibase

13671843

Analogs

3938054

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
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	17	0.36	Binding ≤ 10μM
PPARG-1-E	Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	4330	0.25	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	20	0.36	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	17	0.36	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	17	0.36	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	17	0.36	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	17	0.36	Binding ≤ 10μM
PPARG_HUMAN	P37231	Peroxisome Proliferator-activated Receptor Gamma, Human	4330	0.25	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	20	0.36	Functional ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	280	0.31	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)	6.47	12.32	-52.84	0	5	-1	68	431.936	9	↓ MOL2 SDF SMILES Flexibase

13671846

Analogs

3938054

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
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	17	0.36	Binding ≤ 10μM
PPARG-1-E	Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	4330	0.25	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	20	0.36	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	17	0.36	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	17	0.36	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	17	0.36	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	17	0.36	Binding ≤ 10μM
PPARG_HUMAN	P37231	Peroxisome Proliferator-activated Receptor Gamma, Human	4330	0.25	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	20	0.36	Functional ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	280	0.31	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)	6.47	12.28	-53.9	0	5	-1	68	431.936	9	↓ MOL2 SDF SMILES Flexibase

13671848

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
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	3	0.38	Binding ≤ 10μM
PPARG-1-E	Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	6770	0.23	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.41	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	3	0.38	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	3	0.38	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	3	0.38	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	3	0.38	Binding ≤ 10μM
PPARG_HUMAN	P37231	Peroxisome Proliferator-activated Receptor Gamma, Human	6770	0.23	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	1	0.41	Functional ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	3	0.38	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)	8.56	11.47	-52.17	0	5	-1	68	475.892	10	↓ MOL2 SDF SMILES Flexibase

13671850

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	3	0.38	Binding ≤ 10μM
PPARG-1-E	Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	6770	0.23	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.41	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	3	0.38	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	3	0.38	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	3	0.38	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	3	0.38	Binding ≤ 10μM
PPARG_HUMAN	P37231	Peroxisome Proliferator-activated Receptor Gamma, Human	6770	0.23	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	1	0.41	Functional ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	3	0.38	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)	8.56	11.43	-53.12	0	5	-1	68	475.892	10	↓ MOL2 SDF SMILES Flexibase

13671852

Analogs

3938053

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	4	0.38	Binding ≤ 10μM
PPARG-1-E	Peroxisome Proliferator-activated Receptor Gamma (cluster #1 Of 2), Eukaryotic	Eukaryotes	5600	0.24	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	2	0.39	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	4	0.38	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	4	0.38	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	4	0.38	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	4	0.38	Binding ≤ 10μM
PPARG_HUMAN	P37231	Peroxisome Proliferator-activated Receptor Gamma, Human	5600	0.24	Binding ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	2	0.39	Functional ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	15	0.35	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)	6.64	12.98	-53.92	0	5	-1	68	445.963	10	↓ MOL2 SDF SMILES Flexibase

13671855

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
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	4	0.38	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	1	0.41	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	4	0.38	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	4	0.38	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	4	0.38	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	4	0.38	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	2	0.39	Functional ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	1	0.41	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)	5.86	11.77	-55.32	0	5	-1	68	457.852	10	↓ MOL2 SDF SMILES Flexibase

13671857

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 3), Eukaryotic	Eukaryotes	162	0.31	Binding ≤ 10μM
PPARA-1-E	Peroxisome Proliferator-activated Receptor Alpha (cluster #1 Of 2), Eukaryotic	Eukaryotes	42	0.33	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	162	0.31	Binding ≤ 1μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	162	0.31	Binding ≤ 1μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	162	0.31	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	162	0.31	Binding ≤ 10μM
PPARA_HUMAN	Q07869	Peroxisome Proliferator-activated Receptor Alpha, Human	41	0.33	Functional ≤ 10μM
PPARA_CANFA	Q95N78	Peroxisome Proliferator-activated Receptor Alpha, Canine	42	0.33	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)	5.90	11.63	-53.72	0	5	-1	68	457.852	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 150610
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 = 150610 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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