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GLASS

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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	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	3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide (Remoxipride) 80125-14-0 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 Tox21_110934 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxy-benzamide 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 3-Bromo-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide ZINC2021799 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 SPBio_002912 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide(remoxipride) A 33547 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 Tox21_110934_1 3-bromo-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-2,6-dimethoxybenzamide 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) 3-Bromo-N-(1-ethyl-pyrrolidin-2-ylmethyl)-2,6-dimethoxy-benzamide 73220-03-8 (mono-hydrochloride) 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 Tocris-0916 3-bromo-n-[[(2s)-1-ethyl-2-pyrrolidinyl]methyl]-2,6-dimethoxybenzamide 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 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 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] [ 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
Ki	70.0 nM	PMID16135699	BindingDB
Ki	300.0 nM	PMID16135699	BindingDB
Ki	640.0 nM	PMID9577836	BindingDB
Ki	970.0 nM	PMID9430133	BindingDB
Ki	2300.0 nM	PMID1586393	BindingDB

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