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-Benzylthioformamide | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C=C1)CNC=S | ||||
| InChI | 1S/C8H9NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5,7H,6H2,(H,9,10) | ||||
| InChIKey | QAADZYUXQLUXFX-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 12975216 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3WNR Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | ||||||
| Method | X-ray diffraction | Resolution | 2.01 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: 3WNT Multiple binding modes of benzyl isothiocyanate inhibitor complexed with Macrophage Migration Inhibitory Factor | ||||||
| Method | X-ray diffraction | Resolution | 2.07 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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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Multiple binding modes of isothiocyanates that inhibit macrophage migration inhibitory factor. Eur J Med Chem. 2015 Mar 26;93:501-10. | ||||
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