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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	Salmeterol
Molecular formula	C25H37NO4
IUPAC name	2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol
Molecular weight	415.574
Hydrogen bond acceptor	5
Hydrogen bond donor	4
XlogP	3.9
Synonyms	SALMATEROL AB00513972-07 Salmeterolum API0004131 SN408D C-21992 CHEMBL1263 DB00938 GIIZNNXWQWCKIB-UHFFFAOYSA-N HMS2090E17 (+-)-4-Hydroxy-alpha'-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-m-xylene-alpha,alpha'-diol KB-146003 1,3-Benzenedimethanol,4-hydroxy-a1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]- MRF-0000468 365S504 5-[2-[6-(4-Phenylbutoxy)hexylamino]-1-hydroxyethyl]-2-hydroxybenzenemethanol Salmeterol Fluticasone Propionate Mixture ACMC-1C1VM SC-23297 BCP04199 SR-01000076139-6 CC-34358 CS0057 DSSTox_RID_77087 GR 33343X HMS3394H13 Lopac0_001100 2-(hydroxymethyl)-4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)phenol NCGC00025247-01 Q-101428 94749-08-3 (xinafoate) Salmeterol [USAN:BAN:INN] AKOS005561914 Serevent BRD-A01320529-001-05-9 Tox21_113584 CHEBI:64064 D0L5YV FT-0600807 GTPL559 HY-14302 1,3-Benzenedimethanol, 4-hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl-, (+-)- MLS001424322 2-hydroxymethyl-4-{1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl}phenol AC1L1JPX Salmeterolum [Latin] Astmerole SR-01000076139 C07241 CPD000466295 DSSTox_CID_3571 Glaxo Wellcome brand of salmeterol xinafoate HMS2097N12 (+-)-4-Hydroxy-alpha1-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-1,3-benzenedimethanol KS-00000L6B 1-hydroxy-2-naphthoic acid;4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]-2-methylol-phenol NC00444 4-(1-hydroxy-2-((6-(4-phenylbutoxy)hexyl)amino)ethyl)-2-(hydroxymethyl)phenol Salmeterol Impurity H (Xinafoate Adduct Impurity) Aeromax SC-67460 BDBM25771 STK629186 CCG-101194 CTK4C0163 DTXSID6023571 GR-33343-X HMS3714N12 1,3-Benzenedimethanol, 4-hydroxy-.alpha.1-[[[6-(4-phenylbutoxy)hexyl]amino]methyl]- LS-29869 2-(hydroxymethyl)-4-[1-hydroxy-2-({6-[(4-phenylbutyl)oxy]hexyl}amino)ethyl]phenol NCGC00025247-02 S 2692 AB00513972 Salmeterol [USAN:INN:BAN] AN-6615 SMR000466295 BSPBio_000910 FT-0674509 HMS2052H13 ( inverted question mark) 4-Hydroxy-a1-[[[6-(4-phenylbutoxy)hexyl]amino]m-ethyl]-1,3-benzenedimethanol; GR 33343X K590 1,3-Benzenedimethanol, 4-hydroxy-alpha1-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-, (+-)- MolPort-005-933-084 Salmeterol (USAN/INN) ACM136112011 SAM001247096 BC202639 SR-01000076139-2 CAS-89365-50-4 CS-2815 DSSTox_GSID_23571 GR 33343 X HMS3268K19 (inverted question mark) 4-Hydroxy-a1-[[[6-(4-phenylbutoxy)hexyl]amino]m-ethyl]-1,3-benzenedimethanol L000532 136112-01-1 NCGC00015938-03 4-(1-hydroxy-2-{[6-(4-phenylbutoxy)hexyl]amino}ethyl)-2-(hydroxymethyl)phenol 89365-50-4 SalMeterol Xinafoate Adduct IMpurity AK173141 SCHEMBL4767 BPBio1_001002 TL80090037 CCG-205176 D05792 Fluticasonepropiponate GR-33343X HSDB 7315 1,3-Benzenedimethanol, 4-hydroxy-alpha(sup 1)-(((6-(4-phenylbutoxy)hexyl)amino)methyl)-, (+-)- MLS000759000 2-(hydroxymethyl)-4-[1-hydroxy-2-[6-(4-phenylbutoxy)hexylamino]ethyl]phenol Prestwick3_000945 [ Show all ]
Inchi Key	GIIZNNXWQWCKIB-UHFFFAOYSA-N
Inchi ID	InChI=1S/C25H37NO4/c27-20-23-18-22(13-14-24(23)28)25(29)19-26-15-7-1-2-8-16-30-17-9-6-12-21-10-4-3-5-11-21/h3-5,10-11,13-14,18,25-29H,1-2,6-9,12,15-17,19-20H2
PubChem CID	5152
ChEMBL	CHEMBL1263
IUPHAR	559
BindingDB	25771
DrugBank	DB00938
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	32000.0 nM	PMID27132867	BindingDB,ChEMBL

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