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GLASS

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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	NAXAGOLIDE
Molecular formula	C15H21NO2
IUPAC name	(4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol
Molecular weight	247.338
Hydrogen bond acceptor	3
Hydrogen bond donor	1
XlogP	2.4
Synonyms	UNII-22Z7E0X6OF (+)-4-Propyl-9-hydroxynaphthoxazine 2H-Naphth(1,2-b)-1,4-oxazin-9-ol, 3,4,4a,5,6,10b-hexahydro-4-propyl-, (4aR-trans)- 88058-88-2 BDBM50331552 JCSREICEMHWFAY-HUUCEWRRSA-N Naxagolide [INN] Nazagolide (4ar,10br)-3,4,4a,5,6,10b-hexahydro-4-propyl-2h-naphth(1,2-b)-1,4-oxazin-9-ol 4-Propyl-9-hydroxy-1,2,3,4a,5,6-hexahydronaphthoxazine AN-16576 CHEMBL69271 N 0500 RL05487 1,2,3,4a,5,6-hexahydro-9-hydroxy-4-n-propyl-4H-naphth(1,2-b)(1,4)oxazine BCP9000980 DTXSID60236782 Naxagolida [INN-Spanish] ZINC22064446 (+)-PHNO 3,4,4A,5,6,10B-hexahydro-4-propyl-2H-naphth(1,2-B)(1,4)oxozin-9-ol AC1L1N70 CHEMBL1288585 l-64739 Naxagolidum PHNO (4aR,10bR)-4-propyl-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-9-ol 4-propyl-9-hydroxynaphoxazine API0007626 D0TH1Z N-0500 SCHEMBL221758 (+)-4-propyl-9-hydroxynaphoxazine 22Z7E0X6OF BDBM50020217 J-501357 [11C]-(+)-(4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol (4ar)-3,4,4a\|A,5,6,10b\|A-hexahydro-4-propyl-2h-naphth[1,2-b]-1,4-oxazin-9-ol 4-Propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol AKOS005146337 LS-178034 Naxagolidum [INN-Latin] PHNO,(+) (4aR,10bR)-4-propyl-3,4,4a,5,6,10b-hexahydro-2H-naphtho[1,2-b][1,4]oxazin-9-ol 4-propyl-9-hydroxynaphthoxazine BCP02364 dopazinol Naxagolida [ Show all ]
Inchi Key	JCSREICEMHWFAY-HUUCEWRRSA-N
Inchi ID	InChI=1S/C15H21NO2/c1-2-7-16-8-9-18-15-13-10-12(17)5-3-11(13)4-6-14(15)16/h3,5,10,14-15,17H,2,4,6-9H2,1H3/t14-,15-/m1/s1
PubChem CID	57533
ChEMBL	CHEMBL69271
IUPHAR	N/A
BindingDB	50020217, 50331552
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	58.0 nM	PMID8097160	BindingDB

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