Structure of PDB 7ckz Chain R Binding Site BS03

Receptor Information
>7ckz Chain R (length=275) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSVRILTACFLSLLILSTLLGNTLVCAAVIRFRHLRSKVTNFFVISLAVS
DLLVAVLVMPWKAVAEIAGFWPFGSFCNIWVAFDIMCSTASILNLCVISV
DRYWAISSPFRYERKMTPKAAFILISVAWTLSVLISFIPVQLSWHKANCD
SSLSRTYAISSSVISFYIPVAIMIVTYTRIYRIAQKQIRRIAALERAAVH
SFKRETKVLKTLSVIMGVFVCCWLPFFILNCILPFCFCIDSNTFDVFVWF
GWANSSLNPIIYAFNADFRKAFSTL
Ligand information
Ligand IDG4C
InChIInChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1
InChIKeyXHCSBQBBGNQINS-DOTOQJQBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7C[C@H]1c2cccc(c2C[C@@H](N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O
CACTVS 3.385C[CH]1N([CH](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc3c(Cl)cccc3Cl
OpenEye OEToolkits 2.0.7CC1c2cccc(c2CC(N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O
CACTVS 3.385C[C@@H]1N([C@@H](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc3c(Cl)cccc3Cl
FormulaC24 H29 Cl2 N O3
Name2-[2,6-bis(chloranyl)phenyl]-1-[(1S,3R)-3-(hydroxymethyl)-1-methyl-5-(3-methyl-3-oxidanyl-butyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone
ChEMBLCHEMBL3421729
DrugBank
ZINCZINC000220050656
PDB chain7ckz Chain R Residue 503 [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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PDB7ckz Ligand recognition and allosteric regulation of DRD1-Gs signaling complexes.
Resolution3.1 Å
Binding residue
(original residue number in PDB)		L112 V119 W123 I209
Binding residue
(residue number reindexed from 1)		L93 V100 W104 I172
Annotation score1
Binding affinityBindingDB: EC50=1.1nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0001588 dopamine neurotransmitter receptor activity, coupled via Gs
GO:0001965 G-protein alpha-subunit binding
GO:0004930 G protein-coupled receptor activity
GO:0004952 dopamine neurotransmitter receptor activity
GO:0005515 protein binding
GO:0032795 heterotrimeric G-protein binding
GO:0035240 dopamine binding
GO:1990763 arrestin family protein binding
Biological Process
GO:0001659 temperature homeostasis
GO:0001661 conditioned taste aversion
GO:0001662 behavioral fear response
GO:0001764 neuron migration
GO:0001963 synaptic transmission, dopaminergic
GO:0001975 response to amphetamine
GO:0006606 protein import into nucleus
GO:0006936 muscle contraction
GO:0007186 G protein-coupled receptor signaling pathway
GO:0007187 G protein-coupled receptor signaling pathway, coupled to cyclic nucleotide second messenger
GO:0007189 adenylate cyclase-activating G protein-coupled receptor signaling pathway
GO:0007190 activation of adenylate cyclase activity
GO:0007191 adenylate cyclase-activating dopamine receptor signaling pathway
GO:0007212 G protein-coupled dopamine receptor signaling pathway
GO:0007416 synapse assembly
GO:0007612 learning
GO:0007613 memory
GO:0007617 mating behavior
GO:0007625 grooming behavior
GO:0007626 locomotory behavior
GO:0007628 adult walking behavior
GO:0007631 feeding behavior
GO:0008306 associative learning
GO:0008542 visual learning
GO:0009410 response to xenobiotic stimulus
GO:0014002 astrocyte development
GO:0015872 dopamine transport
GO:0016477 cell migration
GO:0019226 transmission of nerve impulse
GO:0019228 neuronal action potential
GO:0021542 dentate gyrus development
GO:0021756 striatum development
GO:0021766 hippocampus development
GO:0021853 cerebral cortex GABAergic interneuron migration
GO:0030335 positive regulation of cell migration
GO:0030432 peristalsis
GO:0035106 operant conditioning
GO:0035249 synaptic transmission, glutamatergic
GO:0042053 regulation of dopamine metabolic process
GO:0042220 response to cocaine
GO:0042311 vasodilation
GO:0042417 dopamine metabolic process
GO:0042711 maternal behavior
GO:0043268 positive regulation of potassium ion transport
GO:0043410 positive regulation of MAPK cascade
GO:0046323 D-glucose import
GO:0046959 habituation
GO:0046960 sensitization
GO:0048148 behavioral response to cocaine
GO:0051281 positive regulation of release of sequestered calcium ion into cytosol
GO:0051584 regulation of dopamine uptake involved in synaptic transmission
GO:0051968 positive regulation of synaptic transmission, glutamatergic
GO:0060134 prepulse inhibition
GO:0060158 phospholipase C-activating dopamine receptor signaling pathway
GO:0060291 long-term synaptic potentiation
GO:0060292 long-term synaptic depression
GO:0071870 cellular response to catecholamine stimulus
GO:0071880 adenylate cyclase-activating adrenergic receptor signaling pathway
GO:0099010 modification of postsynaptic structure
GO:0099171 presynaptic modulation of chemical synaptic transmission
GO:2001224 positive regulation of neuron migration
Cellular Component
GO:0005634 nucleus
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0005929 cilium
GO:0012505 endomembrane system
GO:0016020 membrane
GO:0030425 dendrite
GO:0042734 presynaptic membrane
GO:0042995 cell projection
GO:0043197 dendritic spine
GO:0045202 synapse
GO:0045211 postsynaptic membrane
GO:0060170 ciliary membrane
GO:0097648 G protein-coupled receptor complex
GO:0097730 non-motile cilium
GO:0098978 glutamatergic synapse
GO:0098982 GABA-ergic synapse

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7ckz, PDBe:7ckz, PDBj:7ckz
PDBsum7ckz
PubMed33571432
UniProtP21728|DRD1_HUMAN D(1A) dopamine receptor (Gene Name=DRD1)

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