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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	Clebopride
Molecular formula	C20H24ClN3O2
IUPAC name	4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide
Molecular weight	373.881
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	3.2
Synonyms	NCGC00177974-02 SpecPlus_000752 4-amino-N-(1-benzyl-4-piperidyl)-5-chloro-2-methoxy-benzamide ZINC608261 55905-53-8 BDBM50132693 CAS-84370-95-6 clebopride malate D03534 KBio2_004740 LS-25450 Prestwick2_000380 Spectrum4_000083 4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-methoxy-benzamide(Clebopride) AB00053707 BRD-K17294426-050-05-7 CHEMBL325109 Clebopride,(S) DTXSID7022831 KBioGR_000346 N-1-benzyl-4 piperidil-3-methoxy-4-amino-5-chlorobenzamide SPBio_000814 4-Amino-5-chloro-2-methoxy-N-[1-(phenylmethyl)-4-piperidinyl]benzamide UNII-I0A84520Y9 5-22-08-00086 (Beilstein Handbook Reference) AN-40238 BSPBio_003597 Cleboril KBio1_001792 LAS 9273 NCGC00016951-03 Prestwick0_000380 Spectrum2_000767 4-Amino-N-(1-benzyl-4-piperidyl)-5-chloro-o-anisamide 57645-39-3 (mono-hydrochloride) BENZAMIDE, 4-AMINO-5-CHLORO-2-METHOXY-N-(1-(PHENYLMETHYL)-4-PIPERIDINYL)- CHEBI:92309 Clebopride [USAN:INN:BAN] D0A2BE KBio2_007308 N-(1'-benzyl-4'-piperidyl)-2-methoxy-4-amino-5- chlorobenzamide Prestwick3_000380 4-amino-5-chloro-2-(methyloxy)-N-[1-(phenylmethyl)piperidin-4-yl]benzamide Spectrum5_001571 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro- AC1L1EG8 BRN 0493934 Cleboprida Clebopridum EINECS 259-885-9 KBioSS_002172 NCGC00016951-01 NCGC00177974-01 SPBio_002460 4-amino-N-(1-benzyl-4-piperidinyl)-5-chloro-2-methoxybenzamide unspecified maleate of clebopride Anti-Secretory Agent C20H24ClN3O2 Clebopride (USAN) Cleboril (TN) KBio2_002172 LAS-9273 Prestwick1_000380 Spectrum3_001997 4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-methoxy-benzamide 905C538 BPBio1_000593 Clebopride [USAN:INN] DivK1c_006848 KBio3_003039 N-(1'-Benzyl-4'-piperidyl)-2-methoxy-4-amino-5-chlorobenzamide SCHEMBL25710 4-Amino-5-chloro-2-methoxy-N-(1-benzyl-4-piperidyl)benzamide Spectrum_001692 4-amino-N-(1-benzylpiperidin-4-yl)-5-chloro-2-methoxybenzamide AKOS027420458 BSPBio_000539 Cleboprida [INN-Spanish] Clebopridum [INN-Latin] I0A84520Y9 L000785 NCGC00016951-02 [ Show all ]
Inchi Key	BVPWJMCABCPUQY-UHFFFAOYSA-N
Inchi ID	InChI=1S/C20H24ClN3O2/c1-26-19-12-18(22)17(21)11-16(19)20(25)23-15-7-9-24(10-8-15)13-14-5-3-2-4-6-14/h2-6,11-12,15H,7-10,13,22H2,1H3,(H,23,25)
PubChem CID	2780
ChEMBL	CHEMBL325109
IUPHAR	N/A
BindingDB	50132693
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	3.2 nM	PMID12951112	BindingDB,ChEMBL

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