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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	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	AB00514697 CAS-97612-24-3 FLB-131 PDSP1_001517 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide(Eticlopride) BPBio1_000952 CHEMBL8946 Eticlopride;3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide LS-26063 Prestwick3_000932 (-)-(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 97612-24-3 BSPBio_000864 Eticloprida ETQ NCGC00161393-02 ZINC1395 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide AC1L1MN4 CHEBI:92874 Eticlopride [INN] GTPL966 PDSP2_000909 3-Chloro-5-Ethyl-N-{[(2s)-1-Ethylpyrrolidin-2-Yl]methyl}-6-Hydroxy-2-Methoxybenzamide BRD-K50417881-003-02-6 D03KUH Eticlopridum NCGC00016963-01 SCHEMBL572121 (S)-3-chloro-5-ethyl-N-((1-ethylpyrrolidin-2-yl)methyl)-6-hydroxy-2-methoxybenzamide A 38503 C17H25ClN2O3 Eticloprida [Spanish] FLB 131 PDSP1_000923 3-Chloro-5-ethyl-N-(1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide (etichlopride) BDBM50007518 ETICLOPRIDE,S(-) J8M468HBH4 PDSP2_001501 5-chloro-3-ethyl-N-((1-ethyl-2-pyrrolidinyl)methyl)-6-methoxysalicylamide BRD-K50417881-003-05-9 DTXSID9048435 Eticlopridum [Latin] NCGC00161393-01 UNII-J8M468HBH4 3-Chloro-5-ethyl-N-((S)-1-ethyl-pyrrolidin-2-ylmethyl)-6-hydroxy-2-methoxy-benzamide [ 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
Ki	22.3 nM	PMID8301592	BindingDB
Ki	27.0 nM	PMID8301592	BindingDB
Ki	70.0 nM	PMID27933960	BindingDB
Ki	70.4 nM	PMID27933960	ChEMBL
Ki	100.0 nM	PMID7475902	IUPHAR

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