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Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

2976359

Zinc Item 2976359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(2-nitro-4-triflyl-phenyl)thio]-1,3,4-thiadiazole-2-thiolate 5-[(2-nitro-4-triflyl-phenyl)thi…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-3-E	Macrophage Migration Inhibitory Factor (cluster #3 Of 3), Eukaryotic	Eukaryotes	9500	0.31	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)	5.61	3.34	-48.14	0	7	-1	106	402.402	5	↓ MOL2 SDF SMILES Flexibase

13861871

Zinc Item 13861871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3Z)-3-[(4-dimethylaminophenyl)methylene]chroman-2,4-dione (3Z)-3-[(4-dimethylaminophenyl)m…

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-3-E	Macrophage Migration Inhibitory Factor (cluster #3 Of 3), Eukaryotic	Eukaryotes	6200	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)	2.89	9.53	-11.08	0	4	0	51	293.322	2	↓ MOL2 SDF SMILES Flexibase

196523

Zinc Item 196523

Analogs

2572851
4959623
4959624
4959625

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A06044117-001-07-4 BRD-A06044117-001-07-4

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-3-E	Macrophage Migration Inhibitory Factor (cluster #3 Of 3), Eukaryotic	Eukaryotes	3400	0.45	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)	1.83	7.42	-42.36	1	3	-1	52	293.14	1	↓ MOL2 SDF SMILES Flexibase

4959623

Zinc Item 4959623

Analogs

4959624
4959625
196523

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A06044117-001-07-4 BRD-A06044117-001-07-4

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-3-E	Macrophage Migration Inhibitory Factor (cluster #3 Of 3), Eukaryotic	Eukaryotes	3400	0.45	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)	1.83	7.34	-42.74	1	3	-1	52	293.14	1	↓ MOL2 SDF SMILES Flexibase

4959624

Zinc Item 4959624

Analogs

4959625
196523

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A06044117-001-07-4 BRD-A06044117-001-07-4

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-3-E	Macrophage Migration Inhibitory Factor (cluster #3 Of 3), Eukaryotic	Eukaryotes	3400	0.45	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)	1.83	7.11	-44.13	1	3	-1	52	293.14	1	↓ MOL2 SDF SMILES Flexibase

4959625

Zinc Item 4959625

Analogs

196523

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-A06044117-001-07-4 BRD-A06044117-001-07-4

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-3-E	Macrophage Migration Inhibitory Factor (cluster #3 Of 3), Eukaryotic	Eukaryotes	3400	0.45	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)	1.83	7.3	-41.84	1	3	-1	52	293.14	1	↓ MOL2 SDF SMILES Flexibase

1430601

Zinc Item 1430601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chlorophenyl)-6-fluoro-1,2-benzothiazol-3-one 2-(4-chlorophenyl)-6-fluoro-1,2-…

Find On: PubMed — Wikipedia — Google

Vendors

Ambinter
- Amb2369552

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-3-E	Macrophage Migration Inhibitory Factor (cluster #3 Of 3), Eukaryotic	Eukaryotes	4200	0.42	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)	3.98	0.9	-7.01	0	2	0	22	279.723	1	↓ MOL2 SDF SMILES Flexibase

1059557

Zinc Item 1059557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC011212 DNC011212

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-3-E	Macrophage Migration Inhibitory Factor (cluster #3 Of 3), Eukaryotic	Eukaryotes	50	0.51	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)	3.85	1.09	-16.23	0	4	0	52	282.324	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = MIF-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 'MIF-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=MIF-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": "MIF-3-E",        
        "target.type": "B10"        

    });
</script>