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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	Fla-797
Molecular formula	C15H21BrN2O3
IUPAC name	3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
Molecular weight	357.248
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.3
Synonyms	3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-6-methoxy-benzamide AC1L3SPF BDBM50007534 SCHEMBL9549978 3-Bromo-N-{[(2S)-1-ethyl-2-pyrrolidinyl]methyl}-2-hydroxy-6-methoxybenzamide CHEMBL283099 (-)-(s)-3-bromo-N-[-(1-ethyl-2-pyrrolidinyl)-methyl]-2-hydroxy-6-methoxybenzamide 84226-14-2 KB-287343 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2-hydroxy-6-methoxy-benzamide AC1Q2695 Benzamide, 3-bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxy-, (S)- ZINC28255344 3-bromo-n-{[(2s)-1-ethylpyrrolidin-2-yl]methyl}-2-hydroxy-6-methoxybenzamide Fla 797 3-Bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2-hydroxy-6-methoxybenzamide A 35043 AKOS030580413 PDSP2_000912 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide [ Show all ]
Inchi Key	PWEZBNRZEHPIIQ-JTQLQIEISA-N
Inchi ID	InChI=1S/C15H21BrN2O3/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	94688
ChEMBL	CHEMBL283099
IUPHAR	N/A
BindingDB	50007534
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	12.0 nM	PMID7901417, PMID1973734, PMID1969484, PMID4040977, PMID1672158	BindingDB,ChEMBL
IC50	21.0 nM	PMID14592497, PMID4040977	BindingDB,ChEMBL
Ki	0.55 nM	PMID1969484, PMID1672158	BindingDB
Ki	0.55 nM	PMID1969484, PMID1672158	ChEMBL
Ki	6.1 nM	PMID2869639	BindingDB
Ki	8.0 nM	PMID2869639	BindingDB
Ki	10.0 nM	PMID2869639	BindingDB

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