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GLASS

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Go to the GPCR, ligand, or experimental data tables.
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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	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	DTXSID7022831 KBioGR_000346 N-1-benzyl-4 piperidil-3-methoxy-4-amino-5-chlorobenzamide 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) Cleboril KBio1_001792 LAS 9273 NCGC00016951-03 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 D0A2BE KBio2_007308 N-(1'-benzyl-4'-piperidyl)-2-methoxy-4-amino-5- chlorobenzamide 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] Clebopridum EINECS 259-885-9 KBioSS_002172 NCGC00016951-01 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 Cleboril (TN) KBio2_002172 LAS-9273 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) DivK1c_006848 KBio3_003039 N-(1'-Benzyl-4'-piperidyl)-2-methoxy-4-amino-5-chlorobenzamide Prestwick1_000380 Spectrum3_001997 4-Amino-N-(1-benzyl-piperidin-4-yl)-5-chloro-2-methoxy-benzamide 905C538 BPBio1_000593 Clebopride [USAN:INN] Clebopridum [INN-Latin] I0A84520Y9 L000785 NCGC00016951-02 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] D03534 KBio2_004740 LS-25450 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 [ 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	10.0 nM	PMID8246241	BindingDB
Ki	10.4 nM	PMID8246241	ChEMBL
Ki	170.0 nM	PMID12951112	BindingDB,ChEMBL

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