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GLASS

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GPCR

Name	D(2) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD2
Synonym	dopamine receptor 2 Dopamine D2 receptor D2R D2A and D_2B D2(415) and D₂₍₄₄₄₎ D2 receptor [ Show all ]
Disease	Substance dependence Major depressive disorder Maintain blood pressure in hypotensive states Insomnia Inflammatory disease Inflammatory bowel disease Idiopathic thrombocytopenic purpura Hypertension; Angina pectoris Hypertension Hyperprolactinemia Huntington's disease Glaucoma Gastrointestinal problems Malignant phaeochromocytoma; Benign prostatic hypertrophy; Malignant essential hypertension Migraine headaches Nasal congestion Sexual dysfunction Schizophrenia; Schizoaffective disorders Schizophrenia; Bipolar disorder Schizophrenia Psychotic disorders Psychosis Postpartum haemorrhage Peripheral vasoconstriction; Pulmonary hypertension Parkinson's disease Pain; Inflammatory diseases Ophthalmic disease Non-small cell lung cancer Nausea; Vomiting Fibrosis False perceptions; Bipolar disorder Emesis Chronic obstructive pulmonary disease Cerebrovascular ischaemia Cardiotonic Cardiac failure Bacterial infections Breast cancer Bipolar disorder; Schizophrenia Bipolar disorder Corneal vascularity; Hyperaemia; Itching Asthma; Bronchitis Anxiety disorder Carcinoid syndrome; Acromegaly Advanced stage Parkinson's disease Dermal necrosis Depressive fatigue Alcohol use disorders Allergy Alzheimer disease Hypotension [ Show all ]
Length	443
Amino acid sequence	MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRAHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKDHPKIAKIFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
UniProt	P14416
Protein Data Bank	6cm4, 6c38
GPCR-HGmod model	P14416
3D structure model	This structure is from PDB ID 6cm4.
BioLiP	BL0408379, BL0403379
Therapeutic Target Database	T67162
ChEMBL	CHEMBL217
IUPHAR	215
DrugBank	BE0000756

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	AB00053707 BRD-K17294426-050-05-7 CHEMBL325109 Clebopride,(S) 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) AN-40238 BSPBio_003597 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) 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 Prestwick0_000380 Spectrum2_000767 4-Amino-N-(1-benzyl-4-piperidyl)-5-chloro-o-anisamide AC1L1EG8 BRN 0493934 Cleboprida 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- Anti-Secretory Agent C20H24ClN3O2 Clebopride (USAN) 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 905C538 BPBio1_000593 Clebopride [USAN:INN] 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 AKOS027420458 BSPBio_000539 Cleboprida [INN-Spanish] 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 55905-53-8 BDBM50132693 CAS-84370-95-6 clebopride malate D03534 KBio2_004740 LS-25450 NCGC00177974-02 SpecPlus_000752 4-amino-N-(1-benzyl-4-piperidyl)-5-chloro-2-methoxy-benzamide ZINC608261 [ 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	12.0 nM	PMID12951112	BindingDB,ChEMBL
Ki	18.0 nM	PMID12951112	BindingDB,ChEMBL

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