Structure of PDB 7m19 Chain C Binding Site BS01

Receptor Information
>7m19 Chain C (length=313) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PAYRILKPWWDVFTDYISIVMLMIAVFGGTLQVTQDKMICLPCKWVTKDS
CNDSTGPTGIKYDLDRHQYNYVDAVCYENRLHWFAKYFPYLVLLHTLIFL
ACSNFWFKFPRTSSKLEHFVSILLKCFDSPWTTRALSDKKEGEQAKALFE
KVKKFRTHVEEGDIVYRLYMRQTIIKVIKFALIICYTVYYVHNIKFDVDC
TVDIESLTGYRTYRCAHPLATLFKILASFYISLVIFYGLICMYTLWWMLR
RSLKKYSFESIREESSYSDIPDVKNDFAFMLHLIDQYDPLYSKRFAVFLS
EVSENKLRQLNLN
Ligand information
Ligand IDYNJ
InChIInChI=1S/C25H34Cl2O4/c1-2-3-13-25(18-10-7-8-11-18)16-17-15-19(22(26)23(27)21(17)24(25)30)31-14-9-5-4-6-12-20(28)29/h15,18H,2-14,16H2,1H3,(H,28,29)/t25-/m0/s1
InChIKeyFIDRMVPJOHBYQH-VWLOTQADSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CCCC[C@]1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCCCCC(=O)O)C3CCCC3
OpenEye OEToolkits 2.0.7CCCCC1(Cc2cc(c(c(c2C1=O)Cl)Cl)OCCCCCCC(=O)O)C3CCCC3
CACTVS 3.385CCCC[C]1(Cc2cc(OCCCCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
CACTVS 3.385CCCC[C@]1(Cc2cc(OCCCCCCC(O)=O)c(Cl)c(Cl)c2C1=O)C3CCCC3
ACDLabs 12.01O=C(O)CCCCCCOc1cc2CC(CCCC)(C(=O)c2c(Cl)c1Cl)C1CCCC1
FormulaC25 H34 Cl2 O4
Name7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid
ChEMBL
DrugBank
ZINC
PDB chain7m19 Chain C Residue 902 [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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PDB7m19 Small molecule SWELL1 complex induction improves glycemic control and nonalcoholic fatty liver disease in murine Type 2 diabetes.
Resolution3.69 Å
Binding residue
(original residue number in PDB)		D102 R103
Binding residue
(residue number reindexed from 1)		D65 R66
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005225 volume-sensitive anion channel activity
GO:0005253 monoatomic anion channel activity
GO:0042802 identical protein binding
GO:0140360 cyclic-GMP-AMP transmembrane transporter activity
Biological Process
GO:0001678 intracellular glucose homeostasis
GO:0002329 pre-B cell differentiation
GO:0006820 monoatomic anion transport
GO:0006884 cell volume homeostasis
GO:0006970 response to osmotic stress
GO:0007283 spermatogenesis
GO:0015734 taurine transmembrane transport
GO:0015810 aspartate transmembrane transport
GO:0030154 cell differentiation
GO:0032024 positive regulation of insulin secretion
GO:0034214 protein hexamerization
GO:0034220 monoatomic ion transmembrane transport
GO:0045663 positive regulation of myoblast differentiation
GO:0055085 transmembrane transport
GO:0098656 monoatomic anion transmembrane transport
GO:0140361 cyclic-GMP-AMP transmembrane import across plasma membrane
GO:1902476 chloride transmembrane transport
Cellular Component
GO:0005764 lysosome
GO:0005765 lysosomal membrane
GO:0005886 plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0034702 monoatomic ion channel complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7m19, PDBe:7m19, PDBj:7m19
PDBsum7m19
PubMed35145074
UniProtQ80WG5|LRC8A_MOUSE Volume-regulated anion channel subunit LRRC8A (Gene Name=Lrrc8a)

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