Structure of PDB 6tfb Chain B Binding Site BS01

Receptor Information
>6tfb Chain B (length=125) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LACQEITVPLCKGIGYEYTYMPNQFNHDTQDEAGLEVHQFWPLVEIQCSP
DLKFFLCSMYTPICLEDYKKPLPPCRSVCERAKAGCAPLMRQYGFAWPDR
MRCDRLPEQGNPDTLCMDYEEVLFQ
Ligand information
Ligand IDN6W
InChIInChI=1S/C15H12N2O/c16-15(18)17-13-7-3-1-5-11(13)9-10-12-6-2-4-8-14(12)17/h1-10H,(H2,16,18)
InChIKeyFFGPTBGBLSHEPO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385NC(=O)N1c2ccccc2C=Cc3ccccc13
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C=Cc3ccccc3N2C(=O)N
FormulaC15 H12 N2 O
Namebenzo[b][1]benzazepine-11-carboxamide
ChEMBLCHEMBL108
DrugBankDB00564
ZINCZINC000000004785
PDB chain6tfb Chain B Residue 202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6tfb Antiepileptic Drug Carbamazepine Binds to a Novel Pocket on the Wnt Receptor Frizzled-8.
Resolution1.68 Å
Binding residue
(original residue number in PDB)		Q56 P103 L104 P105 P106 R137
Binding residue
(residue number reindexed from 1)		Q24 P71 L72 P73 P74 R105
Annotation score1
Binding affinityMOAD: Kd=17uM
BindingDB: Kd=16800nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6tfb, PDBe:6tfb, PDBj:6tfb
PDBsum6tfb
PubMed32049522
UniProtQ61091|FZD8_MOUSE Frizzled-8 (Gene Name=Fzd8)

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