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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	CHEMBL1928248
Molecular formula	C54H76N6O9
IUPAC name	N-[4-[4-[4-[2-[2-[2-[2-[[4-[4-(4-benzamidobutyl)piperazin-1-yl]-3-methoxyphenyl]methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]-2-methoxyphenyl]piperazin-1-yl]butyl]benzamide
Molecular weight	953.235
Hydrogen bond acceptor	13
Hydrogen bond donor	2
XlogP	5.7
Synonyms	BDBM50359759
Inchi Key	BGMQCQHMPBHOMK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C54H76N6O9/c1-63-51-41-45(17-19-49(51)59-29-25-57(26-30-59)23-11-9-21-55-53(61)47-13-5-3-6-14-47)43-68-39-37-66-35-33-65-34-36-67-38-40-69-44-46-18-20-50(52(42-46)64-2)60-31-27-58(28-32-60)24-12-10-22-56-54(62)48-15-7-4-8-16-48/h3-8,13-20,41-42H,9-12,21-40,43-44H2,1-2H3,(H,55,61)(H,56,62)
PubChem CID	57393634
ChEMBL	CHEMBL1928248
IUPHAR	N/A
BindingDB	50359759
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has more than 10 hydrogen bond acceptor. This ligand is heavier than 500 daltons. This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
Ki	5400.0 nM	PMID22100258	ChEMBL

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