Structure of PDB 8io3 Chain D Binding Site BS01

Receptor Information
>8io3 Chain D (length=432) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTLLQPTVNKFSLRVFGSHKAVEIEQERVKSAGAWIIHPYSDFRFYWDLI
MLLLMVGNLIVLPVGITFFKEENSPPWIVFNVLSDTFFLLDLVLNFRTGI
VVEILLAPRAIRTRYLRTWFLVDLISSIPVDYIFLVVERALRIVRFTKIL
SLLRLLRLSRLIRYIHQWEEIFHMTYDLASAVVRIFNLIGMMLLLCHWDG
CLQFLVPMLQDFPPDCWVSINHMVNHSWGRQYSHALFKAMSHMLCIGYGQ
QAPVGMPDVWLTMLSMIVGATCYAMFIGHATALIQSLDSSRRQYQEKYKQ
VEQYMSFHKLPADTRQRIHEYYEHRYQGKMFDEESILGELSEPLREEIIN
FTCRGLVAHMDPSFVTAVLTKLRFEVFQPGDLVVREGKMYFIQHGLLSVL
TDGSYFGESVRADTYCRLYSLSVDHFNAVLEE
Ligand information
Ligand IDVXI
InChIInChI=1S/C28H38N2O5/c1-32-24-8-7-20(14-25(24)33-2)9-12-29-11-5-6-21(18-29)19-30-13-10-22-15-26(34-3)27(35-4)16-23(22)17-28(30)31/h7-8,14-16,21H,5-6,9-13,17-19H2,1-4H3/t21-/m0/s1
InChIKeyOBUFMJDDZTXJPY-NRFANRHFSA-N
SMILES
SoftwareSMILES
CACTVS 3.385COc1ccc(CCN2CCC[CH](C2)CN3CCc4cc(OC)c(OC)cc4CC3=O)cc1OC
CACTVS 3.385COc1ccc(CCN2CCC[C@@H](C2)CN3CCc4cc(OC)c(OC)cc4CC3=O)cc1OC
OpenEye OEToolkits 2.0.7COc1ccc(cc1OC)CCN2CCCC(C2)CN3CCc4cc(c(cc4CC3=O)OC)OC
OpenEye OEToolkits 2.0.7COc1ccc(cc1OC)CCN2CCC[C@@H](C2)CN3CCc4cc(c(cc4CC3=O)OC)OC
FormulaC28 H38 N2 O5
Name3-[[(3~{S})-1-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-3-yl]methyl]-7,8-dimethoxy-2,5-dihydro-1~{H}-3-benzazepin-4-one;
Cilobradine
ChEMBL
DrugBank
ZINC
PDB chain8io3 Chain D Residue 801 [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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PDB8io3 Cryo-EM structure of human HCN3 channel with cilobradine
Resolution3.02 Å
Binding residue
(original residue number in PDB)		W234 F238 Y242 L244
Binding residue
(residue number reindexed from 1)		W168 F172 Y176 L178
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005248 voltage-gated sodium channel activity
GO:0005249 voltage-gated potassium channel activity
GO:0005267 potassium channel activity
GO:0005272 sodium channel activity
GO:0005515 protein binding
GO:0030552 cAMP binding
Biological Process
GO:0003254 regulation of membrane depolarization
GO:0006811 monoatomic ion transport
GO:0006813 potassium ion transport
GO:0006814 sodium ion transport
GO:0035725 sodium ion transmembrane transport
GO:0042391 regulation of membrane potential
GO:0055085 transmembrane transport
GO:0071320 cellular response to cAMP
GO:0071805 potassium ion transmembrane transport
GO:1903351 cellular response to dopamine
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0030424 axon
GO:0030425 dendrite
GO:0034702 monoatomic ion channel complex
GO:0043025 neuronal cell body
GO:0044316 cone cell pedicle
GO:0098855 HCN channel complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8io3, PDBe:8io3, PDBj:8io3
PDBsum8io3
PubMed
UniProtQ9P1Z3|HCN3_HUMAN Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 3 (Gene Name=HCN3)

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