Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T39977 | Target Info | |||
| Target Name | Macrophage migration inhibitory factor (MIF) | ||||
| Synonyms | Phenylpyruvate tautomerase; MMIF; L-dopachrome tautomerase; L-dopachrome isomerase; Glycosylation-inhibiting factor; GLIF; GIF | ||||
| Target Type | Clinical trial Target | ||||
| Gene Name | MIF | ||||
| Biochemical Class | Intramolecular oxidoreductase | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | N-(2-Phenylethyl)thioformamide | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C=C1)CCNC=S | ||||
| InChI | 1S/C9H11NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11) | ||||
| InChIKey | WVJCPUDEWCGDGL-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 23047654 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4F2K Macrophage Migration Inhibitory Factor covalently complexed with phenethylisothiocyanate | ||||||
| Method | X-ray diffraction | Resolution | 1.53 Å | Mutation | No | [1] |
| PDB Sequence |
PMFIVNTNVP
11 RASVPDGFLS21 ELTQQLAQAT31 GKPPQYIAVH41 VVPDQLMAFG51 GSSEPCALCS 61 LHSIGKIGGA71 QNRSYSKLLC81 GLLAERLRIS91 PDRVYINYYD101 MNAANVGWNN 111 STFA
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| PDB ID: 3SMB Phenethylisothiocyanate Covalently Bound to Macrophage Migration Inhibitory Factor (MIF) | ||||||
| Method | X-ray diffraction | Resolution | 1.60 Å | Mutation | No | [2] |
| PDB Sequence |
PMFIVNTNVP
10 RASVPDGFLS20 ELTQQLAQAT30 GKPPQYIAVH40 VVPDQLMAFG50 GSSEPCALCS 60 LHSIGKIGGA70 QNRSYSKLLC80 GLLAERLRIS90 PDRVYINYYD100 MNAANVGWNN 110 STFA
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Macrophage migration inhibitory factor covalently complexed with phenethyl isothiocyanate. Acta Crystallogr Sect F Struct Biol Cryst Commun. 2012 Sep 1;68(Pt 9):999-1002. | ||||
| REF 2 | Structural interactions dictate the kinetics of macrophage migration inhibitory factor inhibition by different cancer-preventive isothiocyanates. Biochemistry. 2012 Sep 25;51(38):7506-14. | ||||
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