ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

1673633

Analogs

5758157
44630076

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1354	0.48	Binding ≤ 10μM
LPAR3-2-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic	Eukaryotes	121	0.57	Binding ≤ 10μM
LPAR1-2-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 4), Eukaryotic	Eukaryotes	2800	0.46	Functional ≤ 10μM
LPAR2-1-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 4), Eukaryotic	Eukaryotes	3100	0.45	Functional ≤ 10μM
LPAR3-1-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 3), Eukaryotic	Eukaryotes	384	0.53	Functional ≤ 10μM
Z50587-2-O	Homo Sapiens (cluster #2 Of 9), Other	Other	250	0.54	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)	4.49	8.57	-131.04	0	4	-2	72	264.302	12	↓ MOL2 SDF SMILES Flexibase

36178962

Analogs

36178968
36178975
38594934
39337603
39337614

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-2-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1500	0.58	Binding ≤ 10μM
LPAR2-1-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1500	0.58	Binding ≤ 10μM
LPAR3-2-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic	Eukaryotes	680	0.62	Binding ≤ 10μM
LPAR1-3-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	3122	0.55	Functional ≤ 10μM
LPAR2-2-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #2 Of 4), Eukaryotic	Eukaryotes	3122	0.55	Functional ≤ 10μM
LPAR3-2-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 3), Eukaryotic	Eukaryotes	3122	0.55	Functional ≤ 10μM
Z80390-7-O	PC-3 (Prostate Carcinoma Cells) (cluster #7 Of 10), Other	Other	3122	0.55	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)	3.52	5.64	-38.26	1	3	-1	60	221.257	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.52	6.75	-123.3	0	3	-2	63	220.249	9	↓ MOL2 SDF SMILES Flexibase

36178975

Analogs

38594934
39337603
39337614
39337622
43481723

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Cayman Chemical
- 10007565

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-2-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4620	0.41	Binding ≤ 10μM
LPAR2-1-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	4620	0.41	Binding ≤ 10μM
LPAR3-2-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic	Eukaryotes	4620	0.41	Binding ≤ 10μM
LPAR1-3-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	9674	0.39	Functional ≤ 10μM
LPAR2-2-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #2 Of 4), Eukaryotic	Eukaryotes	9674	0.39	Functional ≤ 10μM
LPAR3-2-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 3), Eukaryotic	Eukaryotes	9674	0.39	Functional ≤ 10μM
Z80390-7-O	PC-3 (Prostate Carcinoma Cells) (cluster #7 Of 10), Other	Other	9674	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)	5.55	8.76	-38.27	1	3	-1	60	277.365	13	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.55	9.88	-123.34	0	3	-2	63	276.357	13	↓ MOL2 SDF SMILES Flexibase

3819448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ki16425 Ki16425

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	425	0.28	Binding ≤ 10μM
LPAR2-1-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1740	0.25	Binding ≤ 10μM
LPAR3-1-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1740	0.25	Binding ≤ 10μM
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	762	0.27	Functional ≤ 10μM
LPAR2-3-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #3 Of 4), Eukaryotic	Eukaryotes	3384	0.24	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	3384	0.24	Functional ≤ 10μM
Z80390-1-O	PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other	Other	3384	0.24	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)	4.80	13.28	-48.06	1	7	-1	104	473.958	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-4.82	-3.88	-40.25	5	8	1	122	272.281	3	↓ MOL2 SDF SMILES Flexibase

13648514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Ki16425 Ki16425

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	425	0.28	Binding ≤ 10μM
LPAR2-1-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1740	0.25	Binding ≤ 10μM
LPAR3-1-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1740	0.25	Binding ≤ 10μM
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	762	0.27	Functional ≤ 10μM
LPAR2-3-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #3 Of 4), Eukaryotic	Eukaryotes	3384	0.24	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	3384	0.24	Functional ≤ 10μM
Z80390-1-O	PC-3 (Prostate Carcinoma Cells) (cluster #1 Of 10), Other	Other	3384	0.24	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)	4.80	13.28	-48.01	1	7	-1	104	473.958	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-4.82	-2.1	-40.24	5	8	1	122	272.281	3	↓ MOL2 SDF SMILES Flexibase

36178968

Analogs

36178975
38594934
39337603
39337614
39337622

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Alfa-Aesar
- H26259

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-2-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1270	0.52	Binding ≤ 10μM
LPAR2-1-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1270	0.52	Binding ≤ 10μM
LPAR3-2-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 2), Eukaryotic	Eukaryotes	303	0.57	Binding ≤ 10μM
LPAR1-3-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #3 Of 4), Eukaryotic	Eukaryotes	2638	0.49	Functional ≤ 10μM
LPAR2-2-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #2 Of 4), Eukaryotic	Eukaryotes	2638	0.49	Functional ≤ 10μM
LPAR3-2-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #2 Of 3), Eukaryotic	Eukaryotes	654	0.54	Functional ≤ 10μM
Z80390-7-O	PC-3 (Prostate Carcinoma Cells) (cluster #7 Of 10), Other	Other	2638	0.49	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)	4.53	7.2	-38.25	1	3	-1	60	249.311	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.53	8.32	-123.32	0	3	-2	63	248.303	11	↓ MOL2 SDF SMILES Flexibase

1210352

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Scientific Exchange (make on demand)
- X-072292
Ambinter
- Amb8566215

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	48	0.34	Binding ≤ 10μM
LPAR3-1-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic	Eukaryotes	230	0.31	Binding ≤ 10μM
LPAR5-1-E	Lysophosphatidic Acid Receptor 5 (cluster #1 Of 1), Eukaryotic	Eukaryotes	292	0.30	Binding ≤ 10μM
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	94	0.33	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	752	0.29	Functional ≤ 10μM
LPAR5-2-E	Lysophosphatidic Acid Receptor 5 (cluster #2 Of 2), Eukaryotic	Eukaryotes	463	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)	4.59	2.17	-46.27	0	9	-1	134	403.326	5	↓ MOL2 SDF SMILES Flexibase

205636

Analogs

3212935

Draw Identity 99% 90% 80% 70%

Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 2), Eukaryotic	Eukaryotes	311	0.40	Binding ≤ 10μM
LPAR3-1-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 2), Eukaryotic	Eukaryotes	1084	0.36	Binding ≤ 10μM
LPAR1-1-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #1 Of 4), Eukaryotic	Eukaryotes	609	0.38	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	2992	0.34	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)	2.95	1.7	-52.89	0	6	-1	88	310.285	4	↓ MOL2 SDF SMILES Flexibase

8860530

Analogs

14953257
14953268

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Cayman Chemical
- 10010093

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
ENPP2-2-E	Autotaxin (cluster #2 Of 2), Eukaryotic	Eukaryotes	442	0.31	Binding ≤ 10μM
LPAR1-2-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 4), Eukaryotic	Eukaryotes	31	0.36	Functional ≤ 10μM
LPAR2-1-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	0.39	Functional ≤ 10μM
LPAR3-1-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 3), Eukaryotic	Eukaryotes	263	0.32	Functional ≤ 10μM
LPAR5-1-E	Lysophosphatidic Acid Receptor 5 (cluster #1 Of 2), Eukaryotic	Eukaryotes	12	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)	5.95	11.88	-133.15	1	7	-2	119	434.51	21	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.95	10.72	-45.25	2	7	-1	116	435.518	21	↓ MOL2 SDF SMILES Flexibase

8860531

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Sigma Aldrich (Building Blocks)
- P0247|SIGMA

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR1-2-E	Lysophosphatidic Acid Receptor Edg-2 (cluster #2 Of 4), Eukaryotic	Eukaryotes	1850	0.29	Functional ≤ 10μM
LPAR3-1-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1600	0.29	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)	3.40	11.05	-223.01	1	8	-3	142	420.463	19	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.40	9.91	-112.61	2	8	-2	139	421.471	19	↓ MOL2 SDF SMILES Flexibase

39426736

Analogs

39899683

Draw Identity 99% 90% 80% 70%

Popular Name:

Find On: PubMed — Wikipedia — Google

Vendors

And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR2-4-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #4 Of 4), Eukaryotic	Eukaryotes	28	0.38	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	7020	0.26	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)	1.62	8.38	-94.92	2	8	-2	138	378.34	7	↓ MOL2 SDF SMILES Flexibase

2924824

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR2-4-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #4 Of 4), Eukaryotic	Eukaryotes	9	0.31	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	310	0.25	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)	3.31	-0.63	-99	2	10	-2	156	486.436	10	↓ MOL2 SDF SMILES Flexibase

1679105

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

NCI Plated 2007
- 47091

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR2-4-E	Lysophosphatidic Acid Receptor Edg-4 (cluster #4 Of 4), Eukaryotic	Eukaryotes	355	0.36	Functional ≤ 10μM
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	30	0.42	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)	-0.70	2.89	-161.25	2	10	-3	179	345.243	7	↓ MOL2 SDF SMILES Flexibase

4599679

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LPAR3-3-E	Lysophosphatidic Acid Receptor Edg-7 (cluster #3 Of 3), Eukaryotic	Eukaryotes	4504	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)	2.44	1.92	-56.09	0	9	-1	134	341.255	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

annotation.name = LPAR3_HUMAN
anotation.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

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 note AS n ON ci.sub_id_fk=n.sub_id_fk INNER JOIN annotation AS a ON n.anno_id_fk=a.anno_id  WHERE c.free = 1 AND a.short_desc LIKE 'LPAR3\\_HUMAN' AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?annotation.name=LPAR3_HUMAN&filter.purchasability=purchasable

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', {
        "annotation.name": "LPAR3_HUMAN"        

    });
</script>