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GLASS

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GPCR

Name	D(4) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD4
Synonym	D4 receptor D4R Dopamine D4 receptor dopamine receptor 4 d(2C) dopamine receptor
Disease	Erectile dysfunction Psychotic disorders Schizophrenia
Length	467
Amino acid sequence	MGNRSTADADGLLAGRGPAAGASAGASAGLAGQGAAALVGGVLLIGAVLAGNSLVCVSVATERALQTPTNSFIVSLAAADLLLALLVLPLFVYSEVQGGAWLLSPRLCDALMAMDVMLCTASIFNLCAISVDRFVAVAVPLRYNRQGGSRRQLLLIGATWLLSAAVAAPVLCGLNDVRGRDPAVCRLEDRDYVVYSSVCSFFLPCPLMLLLYWATFRGLQRWEVARRAKLHGRAPRRPSGPGPPSPTPPAPRLPQDPCGPDCAPPAPGLPRGPCGPDCAPAAPGLPPDPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPRGPCGPDCAPPAPGLPQDPCGPDCAPPAPGLPPDPCGSNCAPPDAVRAAALPPQTPPQTRRRRRAKITGRERKAMRVLPVVVGAFLLCWTPFFVVHITQALCPACSVPPRLVSAVTWLGYVNSALNPVIYTVFNAEFRNVFRKALRACC
UniProt	P21917
Protein Data Bank	5wiv, 5wiu
GPCR-HGmod model	P21917
3D structure model	This structure is from PDB ID 5wiv.
BioLiP	BL0394824, BL0394826, BL0394825
Therapeutic Target Database	T24983
ChEMBL	CHEMBL219
IUPHAR	217
DrugBank	BE0009376, BE0000389

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	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 AC1L1H2R Benzamide, 3-bromo-2,6-dimethoxy-N-((1-ethyl-2-pyrrolidinyl)methyl)-, (S)- BRN 4323708 CHEMBL22242 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 AKOS016014111 BPBio1_001103 CAS-73220-03-8 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 AB00514647 AX8150285 BRD-K54094468-003-03-8 CHEBI:92948 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 AC1Q2696 Benzamide, 3-bromo-N-((1-ethyl-2-pyrrolidinyl)methyl)-2,6-dimethoxy-, (S)- BSPBio_001001 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 AN-16705 BPBio1_001171 CAS-80125-14-0 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 AB00514647-06 BDBM50026045 BRD-K54094468-003-05-3 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) AJ-32770 Biomol-NT_000015 C-21146 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 A-33547 API0009206 BRD-K54094468-001-01-6 CC-34233 [ 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	3872.0 nM	PMID11052797	BindingDB,ChEMBL
Ki	1000.0 nM	PMID16135699	BindingDB
Ki	2800.0 nM	PMID9577836, PMID9015795	BindingDB
Ki	3690.0 nM	PMID8822531	BindingDB
Ki	3872.0 nM	PMID8523409	BindingDB,ChEMBL

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