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 | Flufenamic acid | Ligand Info | |||
| Canonical SMILES | C1=CC=C(C(=C1)C(=O)O)NC2=CC=CC(=C2)C(F)(F)F | ||||
| InChI | 1S/C14H10F3NO2/c15-14(16,17)9-4-3-5-10(8-9)18-12-7-2-1-6-11(12)13(19)20/h1-8,18H,(H,19,20) | ||||
| InChIKey | LPEPZBJOKDYZAD-UHFFFAOYSA-N | ||||
| PubChem Compound ID | 3371 | ||||
| Drug Binding Sites of Target | Top | |||||
|---|---|---|---|---|---|---|
| PDB ID: 3OZL Crystal structure of human transthyretin variant A25T in complex with flufenamic acid. | ||||||
| Method | X-ray diffraction | Resolution | 1.90 Å | Mutation | Yes | [1] |
| PDB Sequence |
CPLMVKVLDA
19 VRGSPTINVA29 VHVFRKAADD39 TWEPFASGKT49 SESGELHGLT59 TEEEFVEGIY 69 KVEIDTKSYW79 KALGISPFHE89 HAEVVFTAND99 SGPRRYTIAA109 LLSPYSYSTT 119 AVVTNP
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| PDB ID: 1BM7 HUMAN TRANSTHYRETIN (PREALBUMIN) COMPLEX WITH FLUFENAMIC ACID (2-[[3-(TRIFLUOROMETHYL)PHENYL]AMINO] BENZOIC ACID) | ||||||
| Method | X-ray diffraction | Resolution | 2.00 Å | Mutation | No | [2] |
| PDB Sequence |
CPLMVKVLDA
19 VRGSPAINVA29 VHVFRKAADD39 TWEPFASGKT49 SESGELHGLT59 TEEEFVEGIY 69 KVEIDTKSYW79 KALGISPFHE89 HAEVVFTAND99 SGPRRYTIAA109 LLSPYSYSTT 119 AVVT
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| References | Top | ||||
|---|---|---|---|---|---|
| REF 1 | Crystal structure of human transthyretin variant A25T in complex with flufenamic acid. | ||||
| REF 2 | Inhibiting transthyretin conformational changes that lead to amyloid fibril formation. Proc Natl Acad Sci U S A. 1998 Oct 27;95(22):12956-60. | ||||
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