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GLASS

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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
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	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	Metopimazine
Molecular formula	C22H27N3O3S2
IUPAC name	1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide
Molecular weight	445.596
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	3.1
Synonyms	1-(3-[2-(Methylsulfonyl)-10H-phenothiazin-10-yl]propyl)-4-piperidinecarboxamide # 118285-EP2298765A1 4-Piperidinecarboxamide, 1-(3-(2-(methylsulfonyl)-10H-phenothiazin-10-yl)propyl)- BDBM179867 CHEMBL398615 ISONIPECOTAMIDE, 1-(3-(2-(METHYLSULFONYL)PHENOTHIAZIN-10-YL)PROPYL)- Metopimazine [USAN:INN:BAN] SCHEMBL49905 1-[3-[2-(Methylsulfonyl)-10H-phenothiazin-10-yl]propyl]piperidin-4-carboxamide BRN 4278585 DTXSID80161224 Metopimazina Nortrip US9132134, Metopimazine (NG101) 1-(3-(2-(Methylsulfonyl)phenothiazin-10-yl)propyl)isonipecotamide 118285-EP2275420A1 238S75V9AV AN-17207 CHEBI:135726 EXP-999 Metopimazine (USAN/INN) RP 9965 1-[3-(2-methylsulfonylphenothiazin-10-yl)propyl]piperidine-4-carboxamide 14008-44-7 4-Piperidinecarboxamide, 1-[3-[2-(methylsulfonyl)-10H-phenothiazin-10-yl]propyl]- BDBM82383 CTK8E9457 J-007351 Metopimazinum TX-013443 1-(3-(2-(Methylsulfonyl)-10H-phenothiazin-10-yl)propyl)-4-piperidinecarboxamide 1-[3-[2-(Methylsulfonyl)phenothiazin-10-yl]propyl]isonipecotamide 2-Methylsulfonyl-10-(3-(4-carbamoylpiperidino)propyl)phenothiazine AC1L1B19 C22H27N3O3S2 EINECS 237-818-4 Metopimazina [INN-Spanish] NSC_26388 Vogalene 1-(3-(2-methylsulfonylphenothiazin-10-yl) propyl)isonipecotinamide 118285-EP2298764A1 4-Piperidinecarboxamide, 1-(3-(2-(methanesulfonyl)phenothiazin-10-yl)propyl)- BCP9000921 FT-0672379 Metopimazine [USAN:BAN:INN] RP-9965 1-[3-[2-(Methylsulfonyl)-10H-phenothiazin-10-yl]propyl]-4-piperidinecarboxamide 14170-03-7 4-Piperidinecarboxamide,1-[3-[2-(methylsulfonyl)-10H-phenothiazin-10-yl]propyl]- BQDBKDMTIJBJLA-UHFFFAOYSA-N D05010 LS-85054 Metopimazinum [INN-Latin] UNII-238S75V9AV 1-(3-(2-(Methylsulfonyl)phenothiazin-10-yl)propyl)-4-piperidinecarboxamide 10-(3-(4-Carbamoylpiperidine)propyl)-2-(methanesulfonyl)phenothiazine 2-Methylsulfonyl-10-[3-(4-carbamoylpiperidino)propyl]phenothiazine AKOS005065914 CAS_26388 EXP 999 Phenothiazine, 10-(3-(4'-carbamoylpiperidino)propyl)-2-methylsulfonyl- ZINC537996 [ Show all ]
Inchi Key	BQDBKDMTIJBJLA-UHFFFAOYSA-N
Inchi ID	InChI=1S/C22H27N3O3S2/c1-30(27,28)17-7-8-21-19(15-17)25(18-5-2-3-6-20(18)29-21)12-4-11-24-13-9-16(10-14-24)22(23)26/h2-3,5-8,15-16H,4,9-14H2,1H3,(H2,23,26)
PubChem CID	26388
ChEMBL	CHEMBL398615
IUPHAR	N/A
BindingDB	179867, 82383
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	2.5 nM	PMID2876905	BindingDB

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