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 | GC-24 | Ligand Info | |||
| Canonical SMILES | CC1=CC(=CC(=C1CC2=CC(=C(C=C2)O)CC3=CC=CC=C3)C)OCC(=O)O | ||||
| InChI | 1S/C24H24O4/c1-16-10-21(28-15-24(26)27)11-17(2)22(16)14-19-8-9-23(25)20(13-19)12-18-6-4-3-5-7-18/h3-11,13,25H,12,14-15H2,1-2H3,(H,26,27) | ||||
| InChIKey | JYHIGYLGYNCMGI-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 448011 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3NEX V30M mutant human transthyretin (TTR) complexed with GC-24 (V30M:GC-24) | ||||||
| Method | X-ray diffraction | Resolution | 1.70 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: 3NEO Wild type human transthyretin (TTR) complexed with GC-24 (TTRwt:GC-24) | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [1] |
| PDB Sequence |
CPLMVKVLDA
19 VRGSPAINVA29 VHVFRKAADD39 TWEPFASGKT49 SESGELHGLT59 TEEEFVEGIY 69 KVEIDTKSYW79 KALGISPFHE89 HAEVVFTAND99 SGPRRYTIAA109 LLSPYSYSTT 119 AVVTNP
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | The binding of synthetic triiodo l-thyronine analogs to human transthyretin: molecular basis of cooperative and non-cooperative ligand recognition. J Struct Biol. 2011 Feb;173(2):323-32. | ||||
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