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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(2) dopamine receptor
Species	Rattus norvegicus (Rat)
Gene	Drd2
Synonym	D2 receptor D2(415) and D₂₍₄₄₄₎ D2A and D_2B D2R Dopamine D2 receptor dopamine receptor 2 [ Show all ]
Disease	N/A for non-human GPCRs
Length	444
Amino acid sequence	MDPLNLSWYDDDLERQNWSRPFNGSEGKADRPHYNYYAMLLTLLIFIIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMIAIVWVLSFTISCPLLFGLNNTDQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRKRRKRVNTKRSSRAFRANLKTPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRMDAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSNPDSPAKPEKNGHAKIVNPRIAKFFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFMKILHC
UniProt	P61169
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL339
IUPHAR	215
DrugBank	N/A

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	NCGC00177974-01 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 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] DivK1c_006848 KBio3_003039 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] Clebopridum [INN-Latin] I0A84520Y9 L000785 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 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) DTXSID7022831 KBioGR_000346 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 Cleboril KBio1_001792 LAS 9273 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] D0A2BE KBio2_007308 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 Clebopridum EINECS 259-885-9 KBioSS_002172 [ 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
IC50	17.0 nM	PMID1535660	BindingDB,ChEMBL
Ki	1.1 nM	PMID8246241	BindingDB
Ki	1.13 nM	PMID8246241	ChEMBL
Ki	1.2 nM	PMID11044891	BindingDB
Ki	2.2 nM	PMID1535660	BindingDB,ChEMBL
Ki	11.9 nM	Bioorg. Med. Chem. Lett., (1995) 5:8:795, PMID12593651	BindingDB,ChEMBL
Ki	12.0 nM	N/A	BindingDB

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