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GLASS

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Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
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	Roxindole
Molecular formula	C23H26N2O
IUPAC name	3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol
Molecular weight	346.474
Hydrogen bond acceptor	2
Hydrogen bond donor	2
XlogP	4.6
Synonyms	118372-EP2298764A1 L001062 Roxindole [INN] ZINC1548439 3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridinyl)butyl)-1H-indol-5-ol AC1Q7AGH DSSTox_CID_23895 NCGC00025216-03 SCHEMBL49673 112192-04-8 3-[4-(4-phenyl-3,6-dihydropyridin-1(2H)-yl)butyl]-1H-indol-5-ol CAS-112192-04-8 DTXSID5043895 roxindol Tox21_110955_1 118372-EP2298765A1 CHEMBL431367 NCGC00025216-01 roxindole[inn] 100239-55-2 (x HCl) 3-(4-(3,6-Dihydro-4-phenyl-1(2H)-pyridylbutyl)indol-5-ol AJ-26886 DSSTox_GSID_43895 PDSP1_001392 Tocris-1559 118372-EP2275420A1 43227SMS0O CHEBI:48558 GTPL52 UNII-43227SMS0O 119742-13-1 (mesylate) AC1L55YV D01GEB NCGC00025216-02 roxindolum 108050-82-4 (mono HCL) 3-[4-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)butyl]-1H-indol-5-ol BDBM50002173 DSSTox_RID_80082 PDSP2_001376 Tox21_110955 [ Show all ]
Inchi Key	HGEYJZMMUGWEOT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C23H26N2O/c26-21-9-10-23-22(16-21)20(17-24-23)8-4-5-13-25-14-11-19(12-15-25)18-6-2-1-3-7-18/h1-3,6-7,9-11,16-17,24,26H,4-5,8,12-15H2
PubChem CID	219050
ChEMBL	CHEMBL431367
IUPHAR	52
BindingDB	50002173
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
ED50	0.074 mg.kg-1	PMID1359142	ChEMBL
ED50	0.12 mg.kg-1	PMID1359142	ChEMBL
IC50	5.6 nM	PMID15341483	BindingDB,ChEMBL
IC50	5.95 nM	PMID1359142	BindingDB,ChEMBL
Ki	0.88 nM	PMID1359142	ChEMBL
Ki	0.88 nM	PMID1359142	BindingDB
Ki	9.1 nM	PMID8759640	BindingDB,ChEMBL
Ki	14.0 nM	PMID9003524	BindingDB,ChEMBL

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