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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.
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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	Reboxetine
Molecular formula	C19H23NO3
IUPAC name	(2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine
Molecular weight	313.397
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	3.0
Synonyms	(2S)-2-[(S)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine 819S762 BDBM35226 Davedax L8S50ZY490 Prolift Solvex (2S)-2-[(S)-2-ethoxyphenoxy(phenyl)methyl]morpholine AC1L2442 CHEMBL180101 Edronax (TN) NCGC00025335-01 Reboxetine (INN) UNII-947S0YZ36I component CBQGYUDMJHNJBX-OALUTQOASA-N (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine 2-((2-ethoxyphenoxy)benzyl)morpholine methanesulfonate AN-4973 D09340 Esreboxetine [USAN:INN] PNU 165442g S-Reboxetine Vestra (TN) (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine 98769-81-4 BRD-K32814891-001-01-1 Davedax (TN) LS-178388 Prolift (TN) Solvex (TN) (+)-(2S)-2-((S)-(2-Ethoxyphenoxy)phenylmethyl)morpholine (S,S)-( )-Reboxetine AJ-08295 CTK5I0084 Esreboxetine Norebox Reboxetine [INN] UNII-L8S50ZY490 (2R)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine API0006066 D0N8FQ GTPL4808 PNU-165442G SCHEMBL34534 ZINC6923 (2S)-2-[(S)-(2-ETHOXYPHENOXY)BENZYL]MORPHOLINE 98819-76-2 CHEBI:125535 DB12395 Morpholine, 2-((S)-(2-ethoxyphenoxy)phenylmethyl)-, (2S)- Tocris-1982 (+-)-(2R)-2-((alphaR)-alpha-(o-Ethoxyphenoxy)benzyl)morpholine (S,S)-reboxetine AKOS027393802 D01NJT Esreboxetine (USAN/INN) Norebox (TN) Reboxitine Vestra [ Show all ]
Inchi Key	CBQGYUDMJHNJBX-OALUTQOASA-N
Inchi ID	InChI=1S/C19H23NO3/c1-2-21-16-10-6-7-11-17(16)23-19(15-8-4-3-5-9-15)18-14-20-12-13-22-18/h3-11,18-20H,2,12-14H2,1H3/t18-,19-/m0/s1
PubChem CID	65856
ChEMBL	N/A
IUPHAR	N/A
BindingDB	35226
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	<10000.0 nM	PMID11454918	BindingDB

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