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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	Remoxipride
Molecular formula	C16H23BrN2O3
IUPAC name	3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide
Molecular weight	371.275
Hydrogen bond acceptor	4
Hydrogen bond donor	1
XlogP	2.1
Synonyms	A-33547 API0009206 BRD-K54094468-001-01-6 CC-34233 DSSTox_CID_25668 KB-211470 Prestwick0_000971 (-)-(s)-3-bromo-N-(( 1-ethyl-2-pyrrolidinyl)-methyl)-2,6-dimethoxybenzamide Remoxipride [USAN:BAN:INN] (S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide Tocris-0916 3-bromo-n-[[(2s)-1-ethyl-2-pyrrolidinyl]methyl]-2,6-dimethoxybenzamide AC1L1H2R Benzamide, 3-bromo-2,6-dimethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)-, (S)- BRN 4323708 CHEMBL22242 DTXSID6045668 NCGC00024870-01 Prestwick3_000971 (R,S)-3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide Remoxipridum [INN-Latin] 3-Bromo-N-((R)-1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide UNII-0223RD59PE 3-bromo-N-{[(2S)-1-ethylpyrrolidin-2-yl]methyl}-2,6-dimethoxybenzamide AKOS016014111 BPBio1_001103 CAS-73220-03-8 GUJRSXAPGDDABA-NSHDSACASA-N NCGC00024870-04 (S)-3-Bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,6-dimethoxybenzamide SCHEMBL121339 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide (Remoxipride) 80125-14-0 AB00514647 AX8150285 BRD-K54094468-003-03-8 CHEBI:92948 DSSTox_GSID_45668 LS-25856 Prestwick1_000971 (-)-(S)-3-Bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,6-dimethoxybenzamide Remoxipride [USAN:INN:BAN] 0223RD59PE Tox21_110934 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-benzamide AC1Q2696 Benzamide, 3-bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,6-dimethoxy-, (S)- BSPBio_001001 D01PIL FLA 731 NCGC00024870-02 Remoxiprida (S)-(-)-3-Bromo-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2,6-dimethoxybenzamide Romoxipride 3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide ZINC2021799 AN-16705 BPBio1_001171 CAS-80125-14-0 DB00409 HMS2089L19 NCGC00024870-06 (-)-(S)-3-Brom-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,6-dimethoxybenzamid Remoxipride (USAN) (S)-3-Bromo-N-((1-ethylpyrrolidin-2-yl)methyl)-2,6-dimethoxybenzamide SPBio_002912 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide(remoxipride) A 33547 AB00514647-06 BDBM50026045 BRD-K54094468-003-05-3 DSSTox_RID_81043 NCGC00016921-01 Prestwick2_000971 (-)-n-ethyl-2-(3-bromo-2,6-dimethoxybenzamidomethyl)pyrrolidine Remoxipridum 117591-79-4 (mono-hydrochloride monohydrate) Tox21_110934_1 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide AJ-32770 Biomol-NT_000015 C-21146 D02682 FLA-731 NCGC00024870-03 Remoxiprida [INN-Spanish] (S)-3-Bromo-2,6-dimethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)benzamide Roxiam 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide 73220-03-8 (mono-hydrochloride) [ Show all ]
Inchi Key	GUJRSXAPGDDABA-NSHDSACASA-N
Inchi ID	InChI=1S/C16H23BrN2O3/c1-4-19-9-5-6-11(19)10-18-16(20)14-13(21-2)8-7-12(17)15(14)22-3/h7-8,11H,4-6,9-10H2,1-3H3,(H,18,20)/t11-/m0/s1
PubChem CID	54477
ChEMBL	CHEMBL22242
IUPHAR	N/A
BindingDB	50026045
DrugBank	DB00409
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
	N/A	N/A	DrugBank
IC50	1.2 nM	PMID20728966	BindingDB
IC50	1.202 nM	PMID20728966	ChEMBL
IC50	880.0 nM	PMID11052797	BindingDB,ChEMBL
Ki	<217.0 nM	PMID8064801	BindingDB,ChEMBL
Ki	16.0 nM	PMID16135699	BindingDB
Ki	30.0 nM	PMID9577836, PMID9015795	BindingDB
Ki	105.0 nM	PMID16135699	BindingDB
Ki	125.0 nM	PMID9430133	BindingDB
Ki	198.0 nM	PMID1586393	BindingDB

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