Structure of PDB 8w46 Chain B Binding Site BS02

Receptor Information
>8w46 Chain B (length=115) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPLMVKVLDAVRGSPAINVAMHVFRKAADDTWEPFASGKTSESGELHGLT
TEEEFVEGIYKVEIDTKSYWKALGISPFHEHAEVVFTANDSGPRRYTIAA
LLSPYSYSTTAVVTN
Ligand information
Ligand ID3RL
InChIInChI=1S/C16H16O3/c1-18-15-9-13(10-16(11-15)19-2)4-3-12-5-7-14(17)8-6-12/h3-11,17H,1-2H3/b4-3+
InChIKeyVLEUZFDZJKSGMX-ONEGZZNKSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01O(c1cc(cc(OC)c1)\C=C\c2ccc(O)cc2)C
OpenEye OEToolkits 1.9.2COc1cc(cc(c1)OC)C=Cc2ccc(cc2)O
CACTVS 3.385COc1cc(OC)cc(C=Cc2ccc(O)cc2)c1
CACTVS 3.385COc1cc(OC)cc(/C=C/c2ccc(O)cc2)c1
OpenEye OEToolkits 1.9.2COc1cc(cc(c1)OC)/C=C/c2ccc(cc2)O
FormulaC16 H16 O3
NamePterostilbene
ChEMBLCHEMBL83527
DrugBankDB17939
ZINCZINC000000899213
PDB chain8w46 Chain B Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8w46 Resveratrol Derivatives Inhibit Transthyretin Fibrillization: Structural Insights into the Interactions between Resveratrol Derivatives and Transthyretin.
Resolution1.35 Å
Binding residue
(original residue number in PDB)		V20 R21 L82
Binding residue
(residue number reindexed from 1)		V11 R12 L73
Annotation score1
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:8w46, PDBe:8w46, PDBj:8w46
PDBsum8w46
PubMed37910439
UniProtP02766|TTHY_HUMAN Transthyretin (Gene Name=TTR)

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