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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(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	1-(1-Benzylpiperidin-4-yl)-1H-pyrrole-2-carbaldehyde
Molecular formula	C17H20N2O
IUPAC name	1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde
Molecular weight	268.36
Hydrogen bond acceptor	2
Hydrogen bond donor	0
XlogP	2.4
Synonyms	254115-92-9 SBB052282 AKOS009517472 ZINC5736728 1-(1-Benzyl-4-piperidinyl)-1H-pyrrole-2-carbaldehyde CHEMBL109173 1-(1-benzylpiperidin-4-yl)pyrrole-2-carbaldehyde SR-01000325726 BDBM50082167 1-(1-Benzyl-piperidin-4-yl)-1H-pyrrole-2-carbaldehyde CTK7I0105 1-[1-benzyl-4-piperidyl]pyrrole-2-carbaldehyde AC1MKGSZ SR-01000325726-1 [ Show all ]
Inchi Key	DYCKCLZHSRKOSL-UHFFFAOYSA-N
Inchi ID	InChI=1S/C17H20N2O/c20-14-17-7-4-10-19(17)16-8-11-18(12-9-16)13-15-5-2-1-3-6-15/h1-7,10,14,16H,8-9,11-13H2
PubChem CID	3156990
ChEMBL	CHEMBL109173
IUPHAR	N/A
BindingDB	50082167
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	200.0 nM	PMID10560741	BindingDB,ChEMBL

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