Structure of PDB 7wig Chain R Binding Site BS01

Receptor Information
>7wig Chain R (length=283) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LTSNAVLTFIYFVVCIIGLCGNTLVIYVILRTITNIYILNLAIADELFML
GLPFLAMQVALVHWPFGKAICRVVMTVDGINQFTSIFCLTVMSIDRYLAV
VHPIKSAKWRRPRTAKMITMAVWGVSLLVILPIMIYAGLRSNQWGRSSCT
INWPGESGAWYTGFIIYTFILGFLVPLTIICLCYLFIIIKVKSSGIRVGS
SKRKKSEKKVTRMVSIVVAVFIFCWLPFYIFNVSSVSMAISPTPALKGMF
DFVVVLTYANSCANPILYAFLSDNFKKSFQNVL
Ligand information
Ligand ID9FI
InChIInChI=1S/C33H41N5O2/c34-20-23-6-5-7-24(18-23)21-36-31(39)30(19-26-22-35-29-11-4-2-9-27(26)29)37-32(40)38-16-14-33(15-17-38)13-12-25-8-1-3-10-28(25)33/h1-4,8-13,22-24,30,35H,5-7,14-21,34H2,(H,36,39)(H,37,40)/t23-,24+,30+/m0/s1
InChIKeyDAMXHAMKVXERLM-FVBCXUTKSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C=CC23CCN(CC3)C(=O)N[C@H](Cc4c[nH]c5c4cccc5)C(=O)NC[C@@H]6CCC[C@@H](C6)CN
CACTVS 3.385NC[CH]1CCC[CH](CNC(=O)[CH](Cc2c[nH]c3ccccc23)NC(=O)N4CCC5(CC4)C=Cc6ccccc56)C1
CACTVS 3.385NC[C@H]1CCC[C@@H](CNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)N4CCC5(CC4)C=Cc6ccccc56)C1
OpenEye OEToolkits 2.0.7c1ccc2c(c1)C=CC23CCN(CC3)C(=O)NC(Cc4c[nH]c5c4cccc5)C(=O)NCC6CCCC(C6)CN
FormulaC33 H41 N5 O2
Name~{N}-[(2~{R})-1-[[(1~{R},3~{S})-3-(aminomethyl)cyclohexyl]methylamino]-3-(1~{H}-indol-3-yl)-1-oxidanylidene-propan-2-yl]spiro[indene-1,4'-piperidine]-1'-carboxamide
ChEMBL
DrugBank
ZINCZINC000004392988
PDB chain7wig Chain R Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7wig Structures of the endogenous peptide- and selective non-peptide agonist-bound SSTR2 signaling complexes.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D122 Q126 F272 F275 F294 Y302
Binding residue
(residue number reindexed from 1)		D78 Q82 F228 F231 F250 Y258
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0004994 somatostatin receptor activity
GO:0005515 protein binding
GO:0030165 PDZ domain binding
GO:0042923 neuropeptide binding
Biological Process
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007187 G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0007193 adenylate cyclase-inhibiting G protein-coupled receptor signaling pathway
GO:0007218 neuropeptide signaling pathway
GO:0007283 spermatogenesis
GO:0008285 negative regulation of cell population proliferation
GO:0021549 cerebellum development
GO:0030432 peristalsis
GO:0030900 forebrain development
GO:0038170 somatostatin signaling pathway
GO:0042594 response to starvation
GO:0071385 cellular response to glucocorticoid stimulus
GO:0071392 cellular response to estradiol stimulus
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043005 neuron projection

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7wig, PDBe:7wig, PDBj:7wig
PDBsum7wig
PubMed35578016
UniProtP30874|SSR2_HUMAN Somatostatin receptor type 2 (Gene Name=SSTR2)

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