Structure of PDB 8i0b Chain B Binding Site BS01
Receptor Information
>8i0b Chain B (length=261) Species:
9606
(Homo sapiens) [
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NKTVVVTTILESPYVMMKKNHEMLEGNERYEGYCVDLAAEIAKHCGFKYK
LTIVGDGKYGARDADTKIWNGMVGELVYGKADIAIAPLTITLVREEVIDF
SKPFMSLGISIMIKKGTPIESAEDLSKQTEIAYGTLDSGSTKEFFRRSKI
AVFDKMWTYMRSAEPSVFVRTTAEGVARVRKSKGKYAYLLESTMNEYIEQ
RKPCDTMKVGGNLDSKGYGIATPKGSSLRTPVNLAVLKLSEQGVLDKLKN
KWWYDKGECGE
Ligand information
Ligand ID
NXO
InChI
InChI=1S/C19H14FNO3S/c20-18-7-2-1-5-16(18)13-8-10-14(11-9-13)17-6-3-4-15-12-21-25(22,23)24-19(15)17/h1-11,21H,12H2
InChIKey
ICOQPOKTWUAKMT-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.385
Fc1ccccc1c2ccc(cc2)c3cccc4CN[S](=O)(=O)Oc34
OpenEye OEToolkits 2.0.7
c1ccc(c(c1)c2ccc(cc2)c3cccc4c3OS(=O)(=O)NC4)F
Formula
C19 H14 F N O3 S
Name
8-[4-(2-fluorophenyl)phenyl]-3,4-dihydro-1,2$l^{6},3-benzoxathiazine 2,2-dioxide
ChEMBL
DrugBank
ZINC
PDB chain
8i0b Chain B Residue 403 [
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Receptor-Ligand Complex Structure
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PDB
8i0b
Structure of the human GluA2 LBD in complex with LT-102
Resolution
1.73 Å
Binding residue
(original residue number in PDB)
P105 S217 K218
Binding residue
(residue number reindexed from 1)
P103 S215 K216
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0015276
ligand-gated monoatomic ion channel activity
Cellular Component
GO:0016020
membrane
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Molecular Function
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Cellular Component
External links
PDB
RCSB:8i0b
,
PDBe:8i0b
,
PDBj:8i0b
PDBsum
8i0b
PubMed
UniProt
P42262
|GRIA2_HUMAN Glutamate receptor 2 (Gene Name=GRIA2)
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