ZINC 12

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)	2.87	4.88	-15.02	2	5	0	67	299.252	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.32	3.97	-41.48	1	5	-1	70	298.244	5	↓ MOL2 SDF SMILES Flexibase

1841595

Analogs

36671252

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 31 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FABP4-3-E	Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic	Eukaryotes	9400	0.39	Binding ≤ 10μM
FABPH-2-E	Fatty Acid Binding Protein Muscle (cluster #2 Of 3), Eukaryotic	Eukaryotes	5700	0.41	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)	3.05	0.99	-48.58	0	3	-1	45	238.266	3	↓ MOL2 SDF SMILES Flexibase

28370627

Analogs

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
FABP4-3-E	Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic	Eukaryotes	2900	0.39	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)	3.49	6	-14.6	2	4	0	58	303.671	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.95	5.09	-39.28	1	4	-1	61	302.663	4	↓ MOL2 SDF SMILES Flexibase

5939954

Analogs

34925820
34925821

Draw Identity 99% 90% 80% 70%

Popular Name: DNC005040 DNC005040

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FABP4-3-E	Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic	Eukaryotes	570	0.46	Binding ≤ 10μM
FABP5-2-E	Fatty Acid Binding Protein Epidermal (cluster #2 Of 2), Eukaryotic	Eukaryotes	6700	0.38	Binding ≤ 10μM
FABPH-2-E	Fatty Acid Binding Protein Muscle (cluster #2 Of 3), Eukaryotic	Eukaryotes	600	0.46	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)	3.32	9.79	-51.27	0	3	-1	45	252.293	4	↓ MOL2 SDF SMILES Flexibase

1549397

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
FABP4-3-E	Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic	Eukaryotes	7	0.32	Binding ≤ 10μM
FABP5-1-E	Fatty Acid Binding Protein Epidermal (cluster #1 Of 2), Eukaryotic	Eukaryotes	350	0.25	Binding ≤ 10μM
FABPH-1-E	Fatty Acid Binding Protein Muscle (cluster #1 Of 3), Eukaryotic	Eukaryotes	3470	0.21	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)	7.09	3.42	-56.54	0	5	-1	67	473.552	8	↓ MOL2 SDF SMILES Flexibase

1532216

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 52 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FABP4-3-E	Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic	Eukaryotes	150	0.45	Binding ≤ 10μM
TTHY-2-E	Transthyretin (cluster #2 Of 3), Eukaryotic	Eukaryotes	4800	0.35	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)	2.03	6.07	-51.55	1	4	-1	69	298.343	3	↓ MOL2 SDF SMILES Flexibase

12502951

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Life Chemicals (Virtual)
- F2716-0477

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FABP4-3-E	Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic	Eukaryotes	1000	0.40	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)	2.55	5.16	-10.3	1	5	0	66	321.324	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.00	4.04	-39.3	0	5	-1	69	320.316	4	↓ MOL2 SDF SMILES Flexibase

4324959

Analogs

4325133

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
FABP4-3-E	Fatty Acid Binding Protein Adipocyte (cluster #3 Of 3), Eukaryotic	Eukaryotes	3100	0.32	Binding ≤ 10μM
FABPH-1-E	Fatty Acid Binding Protein Muscle (cluster #1 Of 3), Eukaryotic	Eukaryotes	1900	0.33	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)	2.92	8.86	-54.42	1	5	-1	78	364.83	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = FABP4-3-E
target.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 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 'FABP4-3-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=FABP4-3-E&target.type=B10&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": "FABP4-3-E",        
        "target.type": "B10"        

    });
</script>