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GPCR

Name	D(3) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD3
Synonym	dopaminergic receptor D3 D3R D3 receptor dopamine D3 receptor
Disease	Unspecified Emesis; Gastric motility disorder Female sexual dysfunction Male sexual disorders Psychotic disorders Cocaine addiction Schizophrenia Drug abuse [ Show all ]
Length	400
Amino acid sequence	MASLSQLSSHLNYTCGAENSTGASQARPHAYYALSYCALILAIVFGNGLVCMAVLKERALQTTTNYLVVSLAVADLLVATLVMPWVVYLEVTGGVWNFSRICCDVFVTLDVMMCTASILNLCAISIDRYTAVVMPVHYQHGTGQSSCRRVALMITAVWVLAFAVSCPLLFGFNTTGDPTVCSISNPDFVIYSSVVSFYLPFGVTVLVYARIYVVLKQRRRKRILTRQNSQCNSVRPGFPQQTLSPDPAHLELKRYYSICQDTALGGPGFQERGGELKREEKTRNSLSPTIAPKLSLEVRKLSNGRLSTSLKLGPLQPRGVPLREKKATQMVAIVLGAFIVCWLPFFLTHVLNTHCQTCHVSPELYSATTWLGYVNSALNPVIYTTFNIEFRKAFLKILSC
UniProt	P35462
Protein Data Bank	3pbl
GPCR-HGmod model	P35462
3D structure model	This structure is from PDB ID 3pbl.
BioLiP	BL0191566, BL0191567
Therapeutic Target Database	T02551
ChEMBL	CHEMBL234
IUPHAR	216
DrugBank	BE0000581

Ligand

Name	4-bromo-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
Molecular formula	C16H19BrN4O2
IUPAC name	4-bromo-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol
Molecular weight	379.258
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	2.3
Synonyms	4-bromanyl-2-methoxy-6-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol SR-01000208636 4-bromo-2-methoxy-6-[[4-(2-pyrimidyl)piperazino]methyl]phenol HMS2839H08 AC1LQHOW Oprea1_093432 CHEMBL1338732 SR-01000208636-1 4-bromo-2-methoxy-6-{[4-(2-pyrimidinyl)-1-piperazinyl]methyl}phenol MLS001001135 BDBM114628 SMR000496336 4-bromo-2-methoxy-6-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenol cid_1376210 SR-01000208636-3 AB00084780-01 MolPort-002-149-276 [ Show all ]
Inchi Key	BOYYZPFWQQQUAH-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H19BrN4O2/c1-23-14-10-13(17)9-12(15(14)22)11-20-5-7-21(8-6-20)16-18-3-2-4-19-16/h2-4,9-10,22H,5-8,11H2,1H3
PubChem CID	1376210
ChEMBL	CHEMBL1338732
IUPHAR	N/A
BindingDB	114628
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Potency	2818.4 nM	PubChem BioAssay data set	ChEMBL

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