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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	Bos taurus (Bovine)
Gene	DRD2
Synonym	Dopamine D2 receptor
Disease	N/A for non-human GPCRs
Length	444
Amino acid sequence	MDPLNLSWYDDDPESRNWSRPFNGSEGKADRPPYNYYAMLLTLLIFVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPMLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRANLKAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKTVNPKIAKIFEIQSMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
UniProt	P20288
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	CHEMBL3998
IUPHAR	N/A
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	1-(cyclopropylmethyl)-4-(2'-(4''-fluorophenyl)-2'-oxo-ethyl)-piperidine LS-187606 2-(1-Cyclopropylmethyl-piperidin-4-yl)-1-(4-fluoro-phenyl)-ethanone; hydrobromide D0Z4QV UNII-T033730RWW 1-(4-Fluorophenyl)-2-[1-(cyclopropylmethyl)piperidin-4-yl]ethanone AC1L3TQY KWRMWQDKOGFMKP-UHFFFAOYSA-N 1-(Cyclopropylmethyl)-4-[2-(4-fluorophenyl)-2-oxoethyl]piperidine hydrobromide CHEMBL42228 SCHEMBL7358803 2-[1-(cyclopropylmethyl)piperidin-4-yl]-1-(4-fluorophenyl)ethanone DTXSID80159262 ZINC4902 1-(Cyclopropylmethyl)-4-(2'-(4"-fluorophenyl)-2'-oxoethyl)piperidine BDBM50002218 L004958 135135-80-7 CHEMBL543412 T033730RWW [ 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
Ki	<1000.0 nM	PMID7902869	BindingDB,ChEMBL

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