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GPCR

Name	D(2) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD2
Synonym	dopamine receptor 2 Dopamine D2 receptor D2R D2A and D_2B D2(415) and D₂₍₄₄₄₎ D2 receptor [ Show all ]
Disease	Substance dependence Major depressive disorder Maintain blood pressure in hypotensive states Insomnia Inflammatory disease Inflammatory bowel disease Idiopathic thrombocytopenic purpura Hypertension; Angina pectoris Hypertension Hyperprolactinemia Huntington's disease Glaucoma Gastrointestinal problems Malignant phaeochromocytoma; Benign prostatic hypertrophy; Malignant essential hypertension Migraine headaches Nasal congestion Sexual dysfunction Schizophrenia; Schizoaffective disorders Schizophrenia; Bipolar disorder Schizophrenia Psychotic disorders Psychosis Postpartum haemorrhage Peripheral vasoconstriction; Pulmonary hypertension Parkinson's disease Pain; Inflammatory diseases Ophthalmic disease Non-small cell lung cancer Nausea; Vomiting Fibrosis False perceptions; Bipolar disorder Emesis Chronic obstructive pulmonary disease Cerebrovascular ischaemia Cardiotonic Cardiac failure Bacterial infections Breast cancer Bipolar disorder; Schizophrenia Bipolar disorder Corneal vascularity; Hyperaemia; Itching Asthma; Bronchitis Anxiety disorder Carcinoid syndrome; Acromegaly Advanced stage Parkinson's disease Dermal necrosis Depressive fatigue Alcohol use disorders Allergy Alzheimer disease Hypotension [ Show all ]
Length	443
Amino acid sequence	MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRAHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKDHPKIAKIFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
UniProt	P14416
Protein Data Bank	6cm4, 6c38
GPCR-HGmod model	P14416
3D structure model	This structure is from PDB ID 6cm4.
BioLiP	BL0408379, BL0403379
Therapeutic Target Database	T67162
ChEMBL	CHEMBL217
IUPHAR	215
DrugBank	BE0000756

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	BRD-K32814891-001-01-1 Davedax (TN) LS-178388 Prolift (TN) Solvex (TN) (2S)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine 98769-81-4 CTK5I0084 Esreboxetine Norebox Reboxetine [INN] UNII-L8S50ZY490 (+)-(2S)-2-((S)-(2-Ethoxyphenoxy)phenylmethyl)morpholine (S,S)-( )-Reboxetine AJ-08295 API0006066 D0N8FQ GTPL4808 PNU-165442G SCHEMBL34534 ZINC6923 (2R)-2-[(S)-(2-ethoxyphenoxy)-phenylmethyl]morpholine CHEBI:125535 DB12395 Morpholine, 2-((S)-(2-ethoxyphenoxy)phenylmethyl)-, (2S)- Tocris-1982 (2S)-2-[(S)-(2-ETHOXYPHENOXY)BENZYL]MORPHOLINE 98819-76-2 AKOS027393802 D01NJT Esreboxetine (USAN/INN) Norebox (TN) Reboxitine Vestra (+-)-(2R)-2-((alphaR)-alpha-(o-Ethoxyphenoxy)benzyl)morpholine (S,S)-reboxetine BDBM35226 Davedax L8S50ZY490 Prolift Solvex (2S)-2-[(S)-(2-ethoxyphenoxy)-phenyl-methyl]morpholine 819S762 CHEMBL180101 Edronax (TN) NCGC00025335-01 Reboxetine (INN) UNII-947S0YZ36I component CBQGYUDMJHNJBX-OALUTQOASA-N (2S)-2-[(S)-2-ethoxyphenoxy(phenyl)methyl]morpholine AC1L2442 AN-4973 D09340 Esreboxetine [USAN:INN] PNU 165442g S-Reboxetine Vestra (TN) (2R)-2-[(R)-(2-ethoxyphenoxy)-phenylmethyl]morpholine 2-((2-ethoxyphenoxy)benzyl)morpholine methanesulfonate [ 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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