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GLASS

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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	Eticlopride
Molecular formula	C17H25ClN2O3
IUPAC name	5-chloro-3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide
Molecular weight	340.848
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.1
Synonyms	3-Chloro-5-Ethyl-N-{[(2s)-1-Ethylpyrrolidin-2-Yl]methyl}-6-Hydroxy-2-Methoxybenzamide AC1L1MN4 CHEBI:92874 Eticlopride [INN] GTPL966 PDSP2_000909 (S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)methyl)-6-hydroxy-2-methoxybenzamide BRD-K50417881-003-02-6 D03KUH Eticlopridum NCGC00016963-01 SCHEMBL572121 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide (etichlopride) A 38503 C17H25ClN2O3 Eticloprida [Spanish] FLB 131 PDSP1_000923 5-chloro-3-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-methoxysalicylamide BDBM50007518 ETICLOPRIDE,S(-) J8M468HBH4 PDSP2_001501 3-Chloro-5-ethyl-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide BRD-K50417881-003-05-9 DTXSID9048435 Eticlopridum [Latin] NCGC00161393-01 UNII-J8M468HBH4 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide(Eticlopride) AB00514697 CAS-97612-24-3 FLB-131 PDSP1_001517 (-)-(S)-5-Chloro-3-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-methoxysalicylamide 5-chloro-3-ethyl-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2-hydroxy-6-methoxybenzamide BPBio1_000952 CHEMBL8946 Eticlopride;3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide LS-26063 Prestwick3_000932 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide 97612-24-3 BSPBio_000864 Eticloprida ETQ NCGC00161393-02 ZINC1395 [ Show all ]
Inchi Key	AADCDMQTJNYOSS-LBPRGKRZSA-N
Inchi ID	InChI=1S/C17H25ClN2O3/c1-4-11-9-13(18)16(23-3)14(15(11)21)17(22)19-10-12-7-6-8-20(12)5-2/h9,12,21H,4-8,10H2,1-3H3,(H,19,22)/t12-/m0/s1
PubChem CID	57267
ChEMBL	CHEMBL8946
IUPHAR	966
BindingDB	50007518
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	<10000.0 nM	PMID27933960	BindingDB,ChEMBL
Ki	0.086 nM	PMID24848155	BindingDB
Ki	0.086 nM	PMID24848155	ChEMBL
Ki	0.1 nM	PMID9686407	BindingDB
Ki	0.26 nM	PMID27933960	BindingDB
Ki	0.26 nM	PMID27933960	ChEMBL
Ki	0.630957 nM	PMID7907989, PMID8301592	IUPHAR

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