Structure of PDB 8f1c Chain D Binding Site BS02

Receptor Information
>8f1c Chain D (length=394) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SERIVINVGGTRHQTYRSTLRTLPGTRLAWLAEPDAHSHFDYDPRADEFF
FDRHPGVFAHILNYYRTGKLHCPADVCGPLYEEELAFWGIDETDVEPCCW
MTYRQHRDAEEALDSRRWQPRIWALFEDPYSSRYARYVAFASLFFILVSI
TTFCLETHERFNPIVYYREAETEAFLTYIEGVCVVWFTFEFLMRVIFCPN
KVEFIKNSLNIIDFVAILPFYLEVGLSGLSSKAAKDVLGFLRVVRFVRIL
RIFKLTRHFVGLRVLGHTLRASTNEFLLLIIFLALGVLIFATMIYYAERI
GAQPNDPSASEHTHFKNIPIGFWWAVVTMTTLGYGDMYPQTWSGMLVGAL
CALAGVLTIAMPVPVIVNNFGMYYSLAMAKQKLPKKKKKHIPRP
Ligand information
Ligand IDX9T
InChIInChI=1S/C22H20ClN5O3/c1-11-14(28-19-13(27-21(28)29)8-24-12(2)26-19)9-25-20(18(11)23)31-16-7-5-6-15-17(16)22(3,4)10-30-15/h5-9H,10H2,1-4H3,(H,27,29)
InChIKeyMLPMJBILCUWBJI-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01Cc1ncc2NC(=O)N(c2n1)c1cnc(Oc2cccc3OCC(C)(C)c32)c(Cl)c1C
OpenEye OEToolkits 2.0.7Cc1c(cnc(c1Cl)Oc2cccc3c2C(CO3)(C)C)N4c5c(cnc(n5)C)NC4=O
CACTVS 3.385Cc1ncc2NC(=O)N(c3cnc(Oc4cccc5OCC(C)(C)c45)c(Cl)c3C)c2n1
FormulaC22 H20 Cl N5 O3
Name(9M)-9-{5-chloro-6-[(3,3-dimethyl-2,3-dihydro-1-benzofuran-4-yl)oxy]-4-methylpyridin-3-yl}-2-methyl-7,9-dihydro-8H-purin-8-one
ChEMBL
DrugBank
ZINC
PDB chain8f1c Chain D Residue 602 [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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PDB8f1c Identification and structural and biophysical characterization of a positive modulator of human Kv3.1 channels.
Resolution2.92 Å
Binding residue
(original residue number in PDB)		Y365 R368 A371
Binding residue
(residue number reindexed from 1)		Y296 R299 A302
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005249 voltage-gated potassium channel activity
GO:0005251 delayed rectifier potassium channel activity
GO:0005267 potassium channel activity
GO:0005515 protein binding
GO:0019894 kinesin binding
GO:0044325 transmembrane transporter binding
GO:0099508 voltage-gated monoatomic ion channel activity involved in regulation of presynaptic membrane potential
Biological Process
GO:0001508 action potential
GO:0006811 monoatomic ion transport
GO:0006813 potassium ion transport
GO:0009636 response to toxic substance
GO:0009642 response to light intensity
GO:0010996 response to auditory stimulus
GO:0014075 response to amine
GO:0021549 cerebellum development
GO:0021554 optic nerve development
GO:0021759 globus pallidus development
GO:0022038 corpus callosum development
GO:0034765 regulation of monoatomic ion transmembrane transport
GO:0034767 positive regulation of monoatomic ion transmembrane transport
GO:0035864 response to potassium ion
GO:0051260 protein homooligomerization
GO:0051262 protein tetramerization
GO:0055085 transmembrane transport
GO:0071466 cellular response to xenobiotic stimulus
GO:0071774 response to fibroblast growth factor
GO:0071805 potassium ion transmembrane transport
GO:0099505 regulation of presynaptic membrane potential
GO:1901379 regulation of potassium ion transmembrane transport
GO:1901381 positive regulation of potassium ion transmembrane transport
GO:1990089 response to nerve growth factor
Cellular Component
GO:0005886 plasma membrane
GO:0008076 voltage-gated potassium channel complex
GO:0009986 cell surface
GO:0016020 membrane
GO:0030424 axon
GO:0030425 dendrite
GO:0030673 axolemma
GO:0032589 neuron projection membrane
GO:0032590 dendrite membrane
GO:0032809 neuronal cell body membrane
GO:0034702 monoatomic ion channel complex
GO:0042734 presynaptic membrane
GO:0042995 cell projection
GO:0043025 neuronal cell body
GO:0043679 axon terminus
GO:0044305 calyx of Held
GO:0045202 synapse
GO:0045211 postsynaptic membrane

View graph for
Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8f1c, PDBe:8f1c, PDBj:8f1c
PDBsum8f1c
PubMed37812700
UniProtP48547|KCNC1_HUMAN Voltage-gated potassium channel KCNC1 (Gene Name=KCNC1)

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