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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.
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GPCR

Name	D(4) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD4
Synonym	D4 receptor D4R Dopamine D4 receptor dopamine receptor 4 d(2C) dopamine receptor
Disease	Erectile dysfunction Psychotic disorders Schizophrenia
Length	467
Amino acid sequence	MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC
UniProt	P21917
Protein Data Bank	5wiv, 5wiu
GPCR-HGmod model	P21917
3D structure model	This structure is from PDB ID 5wiv.
BioLiP	BL0394824, BL0394826, BL0394825
Therapeutic Target Database	T24983
ChEMBL	CHEMBL219
IUPHAR	217
DrugBank	BE0009376, BE0000389

Ligand

Name	CHEMBL220083
Molecular formula	C17H21N3OS
IUPAC name	3-methyl-N-[[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl]benzamide
Molecular weight	315.435
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	3-methyl-N-(4-thiazol-2-ylpiperidin-1-ylmethyl)-benzamide SCHEMBL4009608 630119-70-9 Benzamide, 3-methyl-N-[[4-(2-thiazolyl)-1-piperidinyl]methyl]- CTK2B0089 3-Methyl-N-{[4-(1,3-thiazol-2-yl)piperidin-1-yl]methyl}benzamide AKOS030577675 DTXSID90582421 BDBM50200051 [ Show all ]
Inchi Key	ATPINSKUJGBMGW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H21N3OS/c1-13-3-2-4-15(11-13)16(21)19-12-20-8-5-14(6-9-20)17-18-7-10-22-17/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,19,21)
PubChem CID	16094665
ChEMBL	CHEMBL220083
IUPHAR	N/A
BindingDB	50200051
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
EC50	9.8 nM	PMID17149874	BindingDB,ChEMBL
Efficacy	71.0 %	PMID17149874	ChEMBL

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