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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	DUP-734 free base
Molecular formula	C17H22FNO
IUPAC name	2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethanone
Molecular weight	275.367
Hydrogen bond acceptor	3
Hydrogen bond donor	0
XlogP	3.2
Synonyms	D0Z4QV UNII-T033730RWW 2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro-phenyl)-ethanone; hydrobromide AC1L3TQY KWRMWQDKOGFMKP-UHFFFAOYSA-N 1-(4-Fluorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone CHEMBL42228 SCHEMBL7358803 1-(Cyclopropylmethyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]piperidine hydrobromide 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethanone DTXSID80159262 ZINC4902 BDBM50002218 L004958 1-(Cyclopropylmethyl)-4-(2'-(4"-fluorophenyl)-2'-oxoethyl)piperidine CHEMBL543412 T033730RWW 135135-80-7 LS-187606 1-(cyclopropylmethyl)-4-(2'-(4''-fluorophenyl)-2'-oxo-ethyl)-piperidine [ Show all ]
Inchi Key	KWRMWQDKOGFMKP-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H22FNO/c18-16-5-3-15(4-6-16)17(20)11-13-7-9-19(10-8-13)12-14-1-2-14/h3-6,13-14H,1-2,7-12H2
PubChem CID	121968
ChEMBL	CHEMBL42228
IUPHAR	N/A
BindingDB	50002218
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	640.0 nM	PMID7783131	BindingDB,ChEMBL

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