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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	PD-168077
Molecular formula	C20H22N4O
IUPAC name	N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide
Molecular weight	334.423
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	NCGC00015791-04 PD-168,077 BDBM50058225 CHEMBL45244 LS-193029 NCGC00024977-02 PD168077 BPBio1_001301 DTXSID7044007 n-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methyl-benzamide NCGC00015791-02 PD 168,077 maleate salt ZINC25758996 AKOS028108749 CHEBI:94634 Lopac-P-233 NCGC00015791-05 Benzamide, N-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]-3-methyl- CJ-17431 N-((4-(2-cyanophenyl)piperazin-1-yl)methyl)-3-methylbenzamide N-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]-3-methylbenzamide NCGC00024977-03 SCHEMBL4002275 BRD-K47761761-103-01-8 GTPL975 NCGC00015791-03 PD 168077 BCP08352 Lopac0_000969 NCGC00024977-01 PD168,077 190383-31-4 Biomol-NT_000050 D0G8VU N-[4-(2-Cyano-phenyl)-piperazin-1-ylmethyl]-3-methyl-benzamide NCGC00015791-01 NOCAS_44007 Tocris-1065 AC1MURTZ CCG-205049 L000473 [ Show all ]
Inchi Key	DNULYRGWTFLJQL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H22N4O/c1-16-5-4-7-17(13-16)20(25)22-15-23-9-11-24(12-10-23)19-8-3-2-6-18(19)14-21/h2-8,13H,9-12,15H2,1H3,(H,22,25)
PubChem CID	3645619
ChEMBL	CHEMBL45244
IUPHAR	975
BindingDB	50058225
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	25.0 nM	PMID12502370	BindingDB,ChEMBL
Ki	6300.0 nM	PMID12502370	BindingDB,ChEMBL
Ki	18300.0 nM	PMID12502370	BindingDB,ChEMBL

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