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GPCR

Name	5-hydroxytryptamine receptor 1A
Species	Homo sapiens (Human)
Gene	HTR1A
Synonym	5-HT-1A 5-HT1A serotonin receptor 1A 5-HT1A receptor 5-hydroxytryptamine (serotonin) receptor 1A, G protein-coupled Gpcr18 ADRB2RL1 ADRBRL1 G-21 [ Show all ]
Disease	Urinary incontinence Generalized anxiety disorder Generalized anxiety disorder; Social phobia Hypertension Hypoactive sexual desire disorder Major depressive disorder Major depressive disorder; Episode; Anxiety Migraine Mood disorder Pain Parkinson's disease Premature ejaculation Psychiatric disorder Psychotic disorders Schizoaffective disorder; Schizophrenia Severe mood disorders Unspecified Female sexual dysfunction Eating disorder Schizophrenia Alzheimer disease Alzheimer disease; Peripheral sensory neuropathies; Lateral sclerosis Bulimia nervosa; Severe mood disorders Cervical dystonia; Spasm Cognitive disorders Anxiety disorder Depression Coronary artery disease [ Show all ]
Length	422
Amino acid sequence	MDVLSPGQGNNTTSPPAPFETGGNTTGISDVTVSYQVITSLLLGTLIFCAVLGNACVVAAIALERSLQNVANYLIGSLAVTDLMVSVLVLPMAALYQVLNKWTLGQVTCDLFIALDVLCCTSSILHLCAIALDRYWAITDPIDYVNKRTPRRAAALISLTWLIGFLISIPPMLGWRTPEDRSDPDACTISKDHGYTIYSTFGAFYIPLLLMLVLYGRIFRAARFRIRKTVKKVEKTGADTRHGASPAPQPKKSVNGESGSRNWRLGVESKAGGALCANGAVRQGDDGAALEVIEVHRVGNSKEHLPLPSEAGPTPCAPASFERKNERNAEAKRKMALARERKTVKTLGIIMGTFILCWLPFFIVALVLPFCESSCHMPTLLGAIINWLGYSNSLLNPVIYAYFNKDFQNAFKKIIKCKFCRQ
UniProt	P08908
Protein Data Bank	N/A
GPCR-HGmod model	P08908
3D structure model	This predicted structure model is from GPCR-EXP P08908.
BioLiP	N/A
Therapeutic Target Database	T78709
ChEMBL	CHEMBL214
IUPHAR	1
DrugBank	BE0000291

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	Elieten (TN) SPBio_001740 4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide (Mcp) Gastrobid ST077151 4-Amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide; Methoxychloroprocainamide Metoclopramide Omega HMS2089G16 US9132134, Metoclopramide AB00053498-13 MolPort-000-883-854 KBio2_002118 Apo-Metoclop NCGC00015643-03 KS-000048I1 Biomol-NT_000082 NCGC00015643-13 Maxeran (TN) BSPBio_000197 o-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)- (8CI) Metaclopromide CHEBI:107736 Plasil CS-1064 Prestwick2_000209 DivK1c_000069 Reglan 364-62-5 Reliveran 4-Amino-5-chloro-2-methoxy-N-(.beta.-diethylaminoethyl)benzamide Emperal Spectrum3_000504 4-amino-5-chloro-N-(2-diethylaminoethyl)-2-methoxybenzamide Metoclopramida [INN-Spanish] Gastrosil Terperan (TN) Metoclopramide, VETRANAL(TM), analytical standard IDI1_000069 AC1L1HKD N-(2-diethylaminoethyl)-2-methoxy-4-amino-5-chlorobenzamide KBio3_001527 Benzamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxy- NCGC00015643-06 L4YEB44I46 BPBio1_001100 NCI60_003185 Maxolon (TN) C14H22ClN3O2 Octamide Methochlopramide cid_23659 Pramidin D08VYV Primperan (tablet) (Salt/Mix) 2-Methoxy-4-amino-5-chloro-N,N-dimethylaminoethylbenzamide DSSTox_RID_80719 EINECS 206-662-9 SC-81367 4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-o-anisamide Gastrese Spectrum_001638 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide;hydrochloride Metoclopramide (JP17/INN) Gimoli TTWJBBZEZQICBI-UHFFFAOYSA-N 7232-21-5 (mono-hydrochloride) Metocobil KB-189202 AKOS000280832 NCGC00015643-01 KM1470 Benzamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy- NCGC00015643-09 LS-20038 BRD-K75641298-003-16-9 Nu-Metoclopramide Megaldrate CCG-204847 Paspertin (Salt/Mix) Metochlopramide Clopra-Yellow Prestwick0_000209 (metaclopramide)4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide Degan (TN) Reclomide 364M625 Emetid SPBio_002118 4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide (metoclopramide) Metoclol Gastromax STL257058 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide;hydrochloride Metoclopramide [INN:BAN:JAN] HSDB 7841 Z2196779550 AB00053498_14 Moriperan KBio2_004686 ARONIS24307 NCGC00015643-04 KS-5055 bmse000779 NCGC00024440-03 Maxolon BSPBio_002027 O-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-(8CI) Metadrate Plasil (pharmaceutical) CTK8G1095 Prestwick3_000209 2-methoxy-4-amino-5-chloro-N,N-(dimethylaminoethyl)benzamide DSSTox_CID_25169 Reglan (Salt/Mix) SBB037841 4-Amino-5-chloro-2-methoxy-N-(beta-diethylaminoethyl)benzamide Eucil Spectrum4_000964 4-amino-5-chloro-N-[2-(diethylamino)-ethyl]-2-methoxybenzamide Gastrotablinen Tox21_110188 5-Chloro-2-methoxyprocainamide Metoclopramidum Imperan AJ-26684 N-(Diethylaminoethyl)-2-methoxy-4-amino-5-chlorobenzamide KBioGR_001307 Benzamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxy- (9CI) NCGC00015643-07 Lopac-M-0763 BRD-K75641298-001-01-5 Neu-Sensamide MCULE-8566255889 CAS-364-62-5 Parmid Methoclopramide Clopra Pramiel Primperan (TN) 2-Methoxy-5-chloroprocainamide DTXSID6045169 Elieten SCHEMBL18629 4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide Gastro-Timelets ST024773 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxybenzamide Metoclopramide Monohydrochloride, Monohydrate GTPL241 UNII-L4YEB44I46 AB00053498 Metramid KBio1_000069 AN-44542 NCGC00015643-02 KS-00000GNS Benzamide,4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy- NCGC00015643-11 Maxeran BRN 1884366 o-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)- Metaclopramide Cerucal Peraprin Metochloropramide Clopromate Prestwick1_000209 (metoclopramide)4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide DEL 1267 Regla 2576-84-3 (di-hydrochloride) 4 Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide Emitasol Spectrum2_001720 4-Amino-5-chloro-N-(2-diethylamino-ethyl)-2-methoxy-benzamide(Metoclopramide) Metoclopramida Gastronerton Terperan 4-azanyl-5-chloranyl-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide;hydrochloride Metoclopramide, European Pharmacopoeia (EP) Reference Standard HY-17382 ZINC1530716 AB1009457 Mygdalon KBio2_007254 BDBM48320 NCGC00015643-05 L001078 BPBio1_000217 NCGC00024440-04 Maxolon (Salt/Mix) C07868 o-Anisamide, 4-amino-5-chloro-N-[2-(diethylamino)ethyl]- Metamide CHEMBL86 Pms-Metoclopramide D00726 Primperan 2-Methoxy-4-amino-5-chloro-N,N-dimethylaminoethyl)benzamide DSSTox_GSID_45169 Reglan (TN) Duraclamid SBI-0050740.P004 4-Amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxybenzamide FT-0628931 Spectrum5_001449 4-amino-5-chloro-N-[2-(diethylamino)ethyl]-2-methoxy-benzamide Metoclopramide (JP15/INN) Gastrotem Tox21_110188_1 54143-57-6 (mono-hydrochloride, mono-hydrate) Metoclopramidum [INN-Latin] J90028 AK468880 n-Anisamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)- KBioSS_002118 Benzamide, 4-amino-5-chloro-N-(2-(diethylamino)ethyl)-2-methoxy-(9CI) NCGC00015643-08 Lopac0_000762 BRD-K75641298-003-05-2 NINDS_000069 Meclopran CAS-7232-21-5 Paspertin Methoxychlorprocainamide CLOPRA-"YELLOW" Pramin (4-amino-5-chloro-2-methoxyphenyl)-N-[2-(diethylamino)ethyl]carboxamide DB01233 Pylomid (TN) 232M215 [ 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
Ki	<10000.0 nM	PMID9686407	PDSP,BindingDB
pKD	5.1 -	PMID7608898	ChEMBL

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