ZINC 12

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	6900	0.38	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)	2.84	2.11	-12.78	0	5	0	57	253.261	2	↓ MOL2 SDF SMILES Flexibase

386008

Analogs

37011532

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HG2A-1-E	HLA-DR Antigens-associated Invariant Chain (cluster #1 Of 1), Eukaryotic	Eukaryotes	90	0.49	Binding ≤ 10μM
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	90	0.49	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)	3.27	9.18	-12.06	0	4	0	44	269.3	3	↓ MOL2 SDF SMILES Flexibase

391976

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	38	0.52	Binding ≤ 10μM
TYRO-1-E	Tyrosinase (cluster #1 Of 2), Eukaryotic	Eukaryotes	5230	0.37	Binding ≤ 10μM
Z50420-1-O	Trypanosoma Brucei Brucei (cluster #1 Of 7), Other	Other	7100	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)	2.07	-3.11	-13.08	3	5	0	90	270.24	1	↓ MOL2 SDF SMILES Flexibase

190428

Analogs

384530
571992
5739236
6603308
36627525

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	1600	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)	2.92	11.34	-19.78	0	5	0	74	308.289	5	↓ MOL2 SDF SMILES Flexibase

58014

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	2900	0.55	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)	1.19	3.53	-16.09	1	4	0	74	187.154	0	↓ MOL2 SDF SMILES Flexibase

47516

Analogs

195518
5825203

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	4300	0.50	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)	1.34	3.46	-10.14	1	4	0	68	204.181	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.34	4.2	-36.62	0	4	-1	70	203.173	1	↓ MOL2 SDF SMILES Flexibase

6227952

Analogs

25756810

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	5800	0.37	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)	1.16	6.68	-34.39	1	6	0	94	276.244	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.16	7.48	-59.82	0	6	-1	97	275.236	5	↓ MOL2 SDF SMILES Flexibase

58069

Analogs

38418848

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	470	0.49	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)	3.23	6.68	-12.44	1	3	0	50	238.242	1	↓ MOL2 SDF SMILES Flexibase

57354

Analogs

5708216
5713896
13130172
33809753
33809754

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	7400	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)	1.65	5.14	-19.35	1	5	0	77	234.207	3	↓ MOL2 SDF SMILES Flexibase

3938675

Analogs

8205362

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	7000	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)	1.27	3.73	-15.8	1	5	0	68	235.239	4	↓ MOL2 SDF SMILES Flexibase

28636956

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Vendors

Scientific Exchange (make on demand)
- M-407601
TimTec Make-on-Demand
- OVS20695634

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	8000	0.32	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)	3.09	3.63	-15.66	2	6	0	80	300.314	6	↓ MOL2 SDF SMILES Flexibase

28636364

Analogs

33678067

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Vendors

Otava (Virtual)
- 7284444

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	330	0.48	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)	5.34	5.01	-8.01	2	4	0	54	321.174	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.34	5.64	-42.24	1	4	-1	57	320.166	4	↓ MOL2 SDF SMILES Flexibase

5483295

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	2600	0.49	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)	4.28	4.91	-7.07	2	3	0	45	212.252	3	↓ MOL2 SDF SMILES Flexibase

28636349

Analogs

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Vendors

Otava (Virtual)
- 7284378

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	480	0.49	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)	4.34	4.19	-10.61	2	4	0	54	242.278	4	↓ MOL2 SDF SMILES Flexibase

325078

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	2100	0.44	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)	1.76	-0.67	-11.6	1	4	0	63	259.286	1	↓ MOL2 SDF SMILES Flexibase

273815

Analogs

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Vendors

Molport
- MolPort-003-724-588

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	3100	0.43	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)	2.51	-0.55	-17.69	1	4	0	63	259.286	1	↓ MOL2 SDF SMILES Flexibase

349032

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	550	0.58	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)	1.24	2.36	-12.13	3	4	0	76	221.237	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.24	3.13	-35.66	2	4	-1	79	220.229	1	↓ MOL2 SDF SMILES Flexibase

272979

Analogs

10449375

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Popular Name: DNC008699 DNC008699

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	4000	0.38	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)	3.63	1.32	-10.19	0	3	0	33	263.296	1	↓ MOL2 SDF SMILES Flexibase

15016427

Analogs

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Popular Name: DNC008703 DNC008703

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	8000	0.36	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)	3.65	4.34	-11.5	2	3	0	53	263.296	2	↓ MOL2 SDF SMILES Flexibase

79237

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	2500	0.30	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)	3.63	-2.09	-11.29	2	4	0	58	345.377	4	↓ MOL2 SDF SMILES Flexibase

79248

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	2500	0.30	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)	3.63	-1.63	-13.9	2	4	0	58	345.377	4	↓ MOL2 SDF SMILES Flexibase

4941804

Analogs

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Vendors

Scientific Exchange (make on demand)
- M-879519
AKOS (make-on-demand)
- AKOS003377667

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	2500	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)	3.18	2.23	-12.22	0	6	0	82	321.288	3	↓ MOL2 SDF SMILES Flexibase

806272

Analogs

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Popular Name: DNC008698 DNC008698

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HG2A-1-E	HLA-DR Antigens-associated Invariant Chain (cluster #1 Of 1), Eukaryotic	Eukaryotes	1500	0.45	Binding ≤ 10μM
MIF-1-E	Macrophage Migration Inhibitory Factor (cluster #1 Of 3), Eukaryotic	Eukaryotes	500	0.49	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)	3.26	9.14	-10.58	0	3	0	35	239.274	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = MIF-1-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-1-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-1-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-1-E",        
        "target.type": "B10"        

    });
</script>