Structure of PDB 6x9h Chain C Binding Site BS01

Receptor Information
>6x9h Chain C (length=403) Species: 9031 (Gallus gallus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALCFMGSLALLALVCTNRIQYYFLYPHVTKLDEVAATRLTFPAVTFCNLN
EFRFSRVTKNDLYHAGELLALLNNRYEIPDTQTADEKQLEILQDKANFRN
FKPKPFNMLEFYDRAGHDIREMLLSCFFRGEQCSPEDFKVVFTRYGKCYT
FNAGQDGKPRLITMKGGTGNGLEIMLDIQQDEYLPVWGETDETSFEAGIK
VQIHSQDEPPLIDQLGFGVAPGFQTFVSCQEQRLIYLPPPWGDCKADTYS
ITACRIDCETRYLVENCNCRMVHMPGDAPYCTPEQYKECADPALDFLVEK
DNEYCVCEMPCNVTRYGKELSMVKIPSKASAKYLAKKYNKSEQYIGENIL
VLDIFFEALNYETIEQKKAYEVAGLLGDIGGQMGLFIGASILTVLELFDY
AYE
Ligand information
Ligand IDUZG
InChIInChI=1S/C22H20N4O3/c1-27-19-10-8-16(12-20(19)28-2)29-15-6-3-13(4-7-15)22-25-17-9-5-14(21(23)24)11-18(17)26-22/h3-12H,1-2H3,(H3,23,24)(H,25,26)
InChIKeyQMVSFWHTZQVRCC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01COc1c(OC)ccc(c1)Oc2ccc(cc2)c4nc3ccc(cc3n4)\C(=N)N
OpenEye OEToolkits 2.0.7[H]/N=C(/c1ccc2c(c1)[nH]c(n2)c3ccc(cc3)Oc4ccc(c(c4)OC)OC)\N
CACTVS 3.385COc1ccc(Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(N)=N)cc1OC
OpenEye OEToolkits 2.0.7COc1ccc(cc1OC)Oc2ccc(cc2)c3[nH]c4cc(ccc4n3)C(=N)N
FormulaC22 H20 N4 O3
Name2-[4-(3,4-dimethoxyphenoxy)phenyl]-1H-benzimidazole-6-carboximidamide
ChEMBL
DrugBank
ZINC
PDB chain6x9h Chain C Residue 502 [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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PDB6x9h Molecular mechanism and structural basis of small-molecule modulation of the gating of acid-sensing ion channel 1.
Resolution3.01 Å
Binding residue
(original residue number in PDB)		E98 L115 L116 M155 Y159 L231 P232 E239 M326 V327 C336 Y341
Binding residue
(residue number reindexed from 1)		E51 L68 L69 M108 Y112 L184 P185 E192 M271 V272 C281 Y286
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005272 sodium channel activity
GO:0015280 ligand-gated sodium channel activity
Biological Process
GO:0006814 sodium ion transport
Cellular Component
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6x9h, PDBe:6x9h, PDBj:6x9h
PDBsum6x9h
PubMed33564124
UniProtQ1XA76|ASIC1_CHICK Acid-sensing ion channel 1 (Gene Name=ASIC1)

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