Structure of PDB 8jpf Chain R Binding Site BS02

Receptor Information
>8jpf Chain R (length=298) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSELDVNTDIYSKVLVTAVYLALFVVGTVGNTVTAFTLTVHYHLGSLALS
DLLTLLLAMPVELYNFIWVHHPWAFGDAGCRGYYFLRDACTYATALNVAS
LSVERYLAICHPFKAKTLMSRSRTKKFISAIWLASALLAVPMLFTMGEQN
RSADGQHAGGLVCTPTIHTATVKVVIQVNTFMSFIFPMVVISVLNTIIAN
KLTVMVRQAAEPGRVQALRHGVRVLRAVVIAFVVCWLPYHVRRLMFCYIS
DEQWTPFLYDFYHYFYMVTNALFYVSSTINPILYNLVSANFRHIFLAT
Ligand information
Ligand IDSRW
InChIInChI=1S/C26H31FN4O2/c1-30(15-16-32)19-7-8-22-21(17-19)24(29-25(28-22)26(27)11-12-26)31-13-9-18(10-14-31)20-5-3-4-6-23(20)33-2/h3-8,17-18,32H,9-16H2,1-2H3
InChIKeyBLWXTJQMEBQCIZ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7CN(CCO)c1ccc2c(c1)c(nc(n2)C3(CC3)F)N4CCC(CC4)c5ccccc5OC
CACTVS 3.385COc1ccccc1C2CCN(CC2)c3nc(nc4ccc(cc34)N(C)CCO)C5(F)CC5
ACDLabs 12.01COc5c(C4CCN(c2nc(C1(CC1)F)nc3ccc(cc23)N(CCO)C)CC4)cccc5
FormulaC26 H31 F N4 O2
Name2-[{2-(1-fluorocyclopropyl)-4-[4-(2-methoxyphenyl)piperidin-1-yl]quinazolin-6-yl}(methyl)amino]ethan-1-ol
ChEMBLCHEMBL4576388
DrugBank
ZINC
PDB chain8jpf Chain R Residue 501 [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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PDB8jpf GPCR activation and GRK2 assembly by a biased intracellular agonist.
Resolution3.02 Å
Binding residue
(original residue number in PDB)		L105 L162 R166 N256 L305 V308 F371
Binding residue
(residue number reindexed from 1)		L44 L101 R105 N195 L225 V228 F291
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0004930 G protein-coupled receptor activity
GO:0005515 protein binding
GO:0016492 G protein-coupled neurotensin receptor activity
GO:0042802 identical protein binding
GO:0044877 protein-containing complex binding
Biological Process
GO:0001659 temperature homeostasis
GO:0003085 negative regulation of systemic arterial blood pressure
GO:0003254 regulation of membrane depolarization
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007218 neuropeptide signaling pathway
GO:0007268 chemical synaptic transmission
GO:0007612 learning
GO:0008344 adult locomotory behavior
GO:0010628 positive regulation of gene expression
GO:0014049 positive regulation of glutamate secretion
GO:0014054 positive regulation of gamma-aminobutyric acid secretion
GO:0033993 response to lipid
GO:0043065 positive regulation of apoptotic process
GO:0043066 negative regulation of apoptotic process
GO:0043576 regulation of respiratory gaseous exchange
GO:0050965 detection of temperature stimulus involved in sensory perception of pain
GO:0051280 negative regulation of release of sequestered calcium ion into cytosol
GO:0051281 positive regulation of release of sequestered calcium ion into cytosol
GO:0060732 positive regulation of inositol phosphate biosynthetic process
GO:0070779 D-aspartate import across plasma membrane
GO:0071545 inositol phosphate catabolic process
GO:0090238 positive regulation of arachidonate secretion
GO:0097151 positive regulation of inhibitory postsynaptic potential
GO:0098712 L-glutamate import across plasma membrane
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane
GO:0009898 cytoplasmic side of plasma membrane
GO:0009986 cell surface
GO:0016020 membrane
GO:0030424 axon
GO:0030425 dendrite
GO:0032280 symmetric synapse
GO:0043025 neuronal cell body
GO:0043195 terminal bouton
GO:0043197 dendritic spine
GO:0043198 dendritic shaft
GO:0043204 perikaryon
GO:0043679 axon terminus
GO:0044309 neuron spine
GO:0045121 membrane raft

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8jpf, PDBe:8jpf, PDBj:8jpf
PDBsum8jpf
PubMed37532940
UniProtP30989|NTR1_HUMAN Neurotensin receptor type 1 (Gene Name=NTSR1)

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