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Quick Search ZINC ID or SMILES

Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

2858527

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Popular Name:

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And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	5880	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)	2.42	5.93	-31.88	2	8	0	87	366.377	3	↓ MOL2 SDF SMILES Flexibase

1213496

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And 13 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	490	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)	3.21	7.8	-26.78	2	6	0	68	356.813	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.84	6.43	-39.07	3	6	1	73	357.821	4	↓ MOL2 SDF SMILES Flexibase

20154027

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	100	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)	3.43	8.15	-30.98	2	6	0	68	390.365	4	↓ MOL2 SDF SMILES Flexibase

20154047

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	980	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)	3.07	7.74	-34.45	2	6	0	68	354.385	3	↓ MOL2 SDF SMILES Flexibase

2862232

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	3700	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)	2.29	7.68	-28.81	2	7	0	92	347.378	3	↓ MOL2 SDF SMILES Flexibase

1726730

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And 1 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	170	0.36	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)	2.96	-1.25	-28.98	2	6	0	68	368.462	4	↓ MOL2 SDF SMILES Flexibase

28704357

Analogs

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Vendors

Key Organics Building Blocks
- BS-3648
KeyOrganics
- BS-3648

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR1-2-E	Formyl Peptide Receptor 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1	0.74	Functional ≤ 10μM
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1	0.74	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)	1.31	4.78	-54.68	1	5	-1	70	228.231	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.31	4.94	-47.41	2	5	0	71	229.239	2	↓ MOL2 SDF SMILES Flexibase

28704359

Analogs

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Vendors

Key Organics Building Blocks
- BS-3648
KeyOrganics
- BS-3648

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR1-2-E	Formyl Peptide Receptor 1 (cluster #2 Of 2), Eukaryotic	Eukaryotes	1	0.74	Functional ≤ 10μM
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1	0.74	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)	1.31	4.76	-54.64	1	5	-1	70	228.231	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.31	4.91	-47.37	2	5	0	71	229.239	2	↓ MOL2 SDF SMILES Flexibase

14976938

Analogs

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Vendors

Asinex
- BDD30344176
Ambinter
- Amb20069344

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	690	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)	4.10	10.62	-17.93	1	6	0	63	402.498	4	↓ MOL2 SDF SMILES Flexibase

4908625

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	2730	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)	2.59	6.57	-28.35	2	7	0	77	352.394	4	↓ MOL2 SDF SMILES Flexibase

1028240

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	90	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)	3.34	-1.65	-27.21	2	6	0	68	401.264	3	↓ MOL2 SDF SMILES Flexibase

1115008

Analogs

8272528

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And 1 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	770	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)	3.45	9.1	-28.66	2	6	0	68	350.422	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.07	5.1	-57.87	1	6	-1	74	349.414	5	↓ MOL2 SDF SMILES Flexibase

152531

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And 11 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	4850	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)	2.69	7.35	-27.27	2	6	0	68	340.358	3	↓ MOL2 SDF SMILES Flexibase

14976935

Analogs

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Vendors

Asinex
- BDD30344172
Ambinter
- Amb20069343

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1020	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)	3.53	10.03	-18.46	1	6	0	63	388.471	3	↓ MOL2 SDF SMILES Flexibase

492740

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FPR2-2-E	Lipoxin A4 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1260	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)	2.98	8.33	-28.9	2	6	0	68	336.395	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = FPR2-2-E
target.type = F10
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 activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'FPR2-2-E' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=FPR2-2-E&target.type=F10&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', {
        "target.name": "FPR2-2-E",        
        "target.type": "F10"        

    });
</script>