Target Binding Site Detail
| Target General Information | Top | ||||
|---|---|---|---|---|---|
| Target ID | T86462 | Target Info | |||
| Target Name | Transthyretin (TTR) | ||||
| Synonyms | TBPA; Prealbumin; PALB; ATTR | ||||
| Target Type | Successful Target | ||||
| Gene Name | TTR | ||||
| UniProt ID | |||||
| Ligand General Information | Top | ||||
|---|---|---|---|---|---|
| Ligand Name | Mangostin | Ligand Info | |||
| Canonical SMILES | CC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C(=C(C(=C3)O)OC)CC=C(C)C)O)C | ||||
| InChI | 1S/C24H26O6/c1-12(2)6-8-14-16(25)10-19-21(22(14)27)23(28)20-15(9-7-13(3)4)24(29-5)17(26)11-18(20)30-19/h6-7,10-11,25-27H,8-9H2,1-5H3 | ||||
| InChIKey | GNRIZKKCNOBBMO-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 5281650 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 4Y9B Crystal structure of V30M mutated transthyretin in complex with alpha-mangostin | ||||||
| Method | X-ray diffraction | Resolution | 1.40 Å | Mutation | Yes | [1] |
| PDB Sequence |
CPLMVKVLDA
19 VRGSPAINVA29 MHVFRKAADD39 TWEPFASGKT49 SESGELHGLT59 TEEEFVEGIY 69 KVEIDTKSYW79 KALGISPFHE89 HAEVVFTAND99 SGPRRYTIAA109 LLSPYSYSTT 119 AVVTNP
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| PDB ID: 4Y9C Crystal structure of V30M mutated transthyretin with bromide in complex with alpha-mangostin | ||||||
| Method | X-ray diffraction | Resolution | 1.49 Å | Mutation | Yes | [1] |
| PDB Sequence |
CPLMVKVLDA
19 VRGSPAINVA29 MHVFRKAADD39 TWEPFASGKT49 SESGELHGLT59 TEEEFVEGIY 69 KVEIDTKSYW79 KALGISPFHE89 HAEVVFTAND99 SGPRRYTIAA109 LLSPYSYSTT 119 AVVTN
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Discovery of Gamma-Mangostin as an Amyloidogenesis Inhibitor. Sci Rep. 2015 Aug 27;5:13570. | ||||
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