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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
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GPCR

Name	D(2) dopamine receptor
Species	Rattus norvegicus (Rat)
Gene	Drd2
Synonym	D2 receptor D2(415) and D₂₍₄₄₄₎ D2A and D_2B D2R Dopamine D2 receptor dopamine receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	444
Amino acid sequence	MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC
UniProt	P61169
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL339
IUPHAR	215
DrugBank	N/A

Ligand

Name	CID 29982233
Molecular formula	C15H21IN2O3
IUPAC name	2-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methylcarbamoyl]-6-iodo-3-methoxyphenolate
Molecular weight	404.248
Hydrogen bond acceptor	3
Hydrogen bond donor	2
XlogP	2.9
Synonyms	N/A
Inchi Key	CANPFCFJURGKAX-JTQLQIEISA-N
Inchi ID	InChI=1S/C15H21IN2O3/c1-3-18-8-4-5-10(18)9-17-15(20)13-12(21-2)7-6-11(16)14(13)19/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,17,20)/t10-/m0/s1
PubChem CID	29982233
ChEMBL	CHEMBL267723
IUPHAR	N/A
BindingDB	50012961
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	1.2 nM	PMID14592497	BindingDB,ChEMBL
IC50	1.7 nM	PMID14592497	BindingDB
IC50	1.71 nM	PMID14592497	ChEMBL
IC50	3.4 nM	PMID4040977	ChEMBL
IC50	3.4 nM	PMID4040977	BindingDB
Kd	0.43 nM	PMID2136916	BindingDB,ChEMBL
Ki	0.261 nM	PMID2136916	BindingDB
Ki	0.261 nM	PMID2136916	ChEMBL
Ki	0.43 nM	PMID8093734	BindingDB,ChEMBL
Ki	0.633 nM	PMID2966245	BindingDB,ChEMBL

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