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GPCR

Name	Alpha-2A adrenergic receptor
Species	Homo sapiens (Human)
Gene	ADRA2A
Synonym	alpha2D alpha2A-AR alpha2A-adrenoceptor alpha2A-adrenergic receptor alpha2A Alpha-2AAR Adra-2 Adra-2a ADRA2 ADRA2R Adrenergic alpha 2A receptor adrenergic receptor Alpha-2 adrenergic receptor subtype C10 Alpha-2A adrenoceptor Alpha-2A adrenoreceptor [ Show all ]
Disease	Attention deficit hyperactivity disorder Sexual dysfunction Pain
Length	450
Amino acid sequence	MGSLQPDAGNASWNGTEAPGGGARATPYSLQVTLTLVCLAGLLMLLTVFGNVLVIIAVFTSRALKAPQNLFLVSLASADILVATLVIPFSLANEVMGYWYFGKAWCEIYLALDVLFCTSSIVHLCAISLDRYWSITQAIEYNLKRTPRRIKAIIITVWVISAVISFPPLISIEKKGGGGGPQPAEPRCEINDQKWYVISSCIGSFFAPCLIMILVYVRIYQIAKRRTRVPPSRRGPDAVAAPPGGTERRPNGLGPERSAGPGGAEAEPLPTQLNGAPGEPAPAGPRDTDALDLEESSSSDHAERPPGPRRPERGPRGKGKARASQVKPGDSLPRRGPGATGIGTPAAGPGEERVGAAKASRWRGRQNREKRFTFVLAVVIGVFVVCWFPFFFTYTLTAVGCSVPRTLFKFFFWFGYCNSSLNPVIYTIFNHDFRRAFKKILCRGDRKRIV
UniProt	P08913
Protein Data Bank	N/A
GPCR-HGmod model	P08913
3D structure model	This predicted structure model is from GPCR-EXP P08913.
BioLiP	N/A
Therapeutic Target Database	T11448
ChEMBL	CHEMBL1867
IUPHAR	25
DrugBank	BE0000289

Ligand

Name	metoclopramide
Molecular formula	C14H22ClN3O2
IUPAC name	4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide
Molecular weight	299.799
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	2.6
Synonyms	D00726 2-Methoxy-4-amino-5-chloro-N,N-dimethylaminoethyl)benzamide DSSTox_GSID_45169 4 Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide Emitasol 4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide(Metoclopramide) Gastronerton 4-azanyl-5-chloranyl-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide;hydrochloride HY-17382 AB1009457 KBio2_007254 BDBM48320 L001078 BPBio1_000217 Maxolon (Salt/Mix) C07868 Metamide CHEMBL86 Terperan (TN) Metoclopramide, VETRANAL(TM), analytical standard N-(2-diethylaminoethyl)-2-methoxy-4-amino-5-chlorobenzamide NCGC00015643-06 NCI60_003185 Octamide Pramidin Primperan (tablet) (Salt/Mix) Reliveran Spectrum3_000504 Metoclopramida [INN-Spanish] DB01233 232M215 Duraclamid 4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide FT-0628931 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide Gastrotem 54143-57-6 (mono-hydrochloride, mono-hydrate) J90028 AK468880 KBioSS_002118 Benzamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxy-(9CI) Lopac0_000762 BRD-K75641298-003-05-2 Meclopran CAS-7232-21-5 Methoxychlorprocainamide CLOPRA-"YELLOW" (4-amino-5-chloro-2-methoxyphenyl)-N-[2-(diethylamino)ethyl]carboxamide Metoclopramide (JP17/INN) TTWJBBZEZQICBI-UHFFFAOYSA-N Metocobil NCGC00015643-01 NCGC00015643-09 Nu-Metoclopramide Paspertin (Salt/Mix) Prestwick0_000209 Reclomide SC-81367 Spectrum_001638 DivK1c_000069 364-62-5 Elieten (TN) 4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide (Mcp) Gastrobid 4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide; Methoxychloroprocainamide HMS2089G16 AB00053498-13 KBio2_002118 Apo-Metoclop KS-000048I1 Biomol-NT_000082 Maxeran (TN) BSPBio_000197 Metaclopromide CHEBI:107736 CS-1064 STL257058 Metoclopramide [INN:BAN:JAN] Z2196779550 Moriperan NCGC00015643-04 NCGC00024440-03 O-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-(8CI) Plasil (pharmaceutical) Prestwick3_000209 Reglan (Salt/Mix) SPBio_002118 Metoclol D08VYV 2-Methoxy-4-amino-5-chloro-N,N-dimethylaminoethylbenzamide DSSTox_RID_80719 4-Amino-5-chloro-2-methoxy-N-(.beta.-diethylaminoethyl)benzamide Emperal 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxybenzamide Gastrosil IDI1_000069 AC1L1HKD KBio3_001527 Benzamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxy- L4YEB44I46 BPBio1_001100 Maxolon (TN) C14H22ClN3O2 Methochlopramide cid_23659 Tox21_110188 Metoclopramidum N-(Diethylaminoethyl)-2-methoxy-4-amino-5-chlorobenzamide NCGC00015643-07 Neu-Sensamide Parmid Pramiel Primperan (TN) SBB037841 Spectrum4_000964 (metaclopramide)4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide Degan (TN) EINECS 206-662-9 4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide Gastrese 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide;hydrochloride Gimoli 7232-21-5 (mono-hydrochloride) KB-189202 AKOS000280832 KM1470 Benzamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy- LS-20038 BRD-K75641298-003-16-9 Megaldrate CCG-204847 Metochlopramide Clopra-Yellow Metoclopramide Monohydrochloride, Monohydrate UNII-L4YEB44I46 Metramid NCGC00015643-02 NCGC00015643-11 o-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)- Peraprin Prestwick1_000209 Regla SCHEMBL18629 ST024773 2-methoxy-4-amino-5-chloro-N,N-(dimethylaminoethyl)benzamide DSSTox_CID_25169 364M625 Emetid 4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide (metoclopramide) Gastromax 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride HSDB 7841 AB00053498_14 KBio2_004686 ARONIS24307 KS-5055 bmse000779 Maxolon BSPBio_002027 Metadrate CTK8G1095 Terperan Metoclopramide, European Pharmacopoeia (EP) Reference Standard ZINC1530716 Mygdalon NCGC00015643-05 NCGC00024440-04 o-Anisamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]- Pms-Metoclopramide Primperan Reglan (TN) Spectrum2_001720 Metoclopramida 2-Methoxy-5-chloroprocainamide DTXSID6045169 4-Amino-5-chloro-2-methoxy-N-(beta-diethylaminoethyl)benzamide Eucil 4-amino-5-chloro-N-[2-(diethylamino)-ethyl]-2-methoxybenzamide Gastrotablinen 5-Chloro-2-methoxyprocainamide Imperan AJ-26684 KBioGR_001307 Benzamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxy- (9CI) Lopac-M-0763 BRD-K75641298-001-01-5 MCULE-8566255889 CAS-364-62-5 Methoclopramide Clopra Tox21_110188_1 Metoclopramidum [INN-Latin] n-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)- NCGC00015643-08 NINDS_000069 Paspertin Pramin Pylomid (TN) SBI-0050740.P004 Spectrum5_001449 Metoclopramide (JP15/INN) (metoclopramide)4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide DEL 1267 2576-84-3 (di-hydrochloride) Elieten 4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide Gastro-Timelets 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide GTPL241 AB00053498 KBio1_000069 AN-44542 KS-00000GNS Benzamide,4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy- Maxeran BRN 1884366 Metaclopramide Cerucal Metochloropramide Clopromate Metoclopramide Omega US9132134, Metoclopramide MolPort-000-883-854 NCGC00015643-03 NCGC00015643-13 o-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)- (8CI) Plasil Prestwick2_000209 Reglan SPBio_001740 ST077151 [ Show all ]
Inchi Key	TTWJBBZEZQICBI-UHFFFAOYSA-N
Inchi ID	InChI=1S/C14H22ClN3O2/c1-4-18(5-2)7-6-17-14(19)10-8-11(15)12(16)9-13(10)20-3/h8-9H,4-7,16H2,1-3H3,(H,17,19)
PubChem CID	4168
ChEMBL	CHEMBL86
IUPHAR	241
BindingDB	48320
DrugBank	DB01233
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
IC50	2721.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL
Ki	1020.0 nM	DrugMatrix in vitro pharmacology data	ChEMBL

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