Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

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	BQDBKDMTIJBJLA-UHFFFAOYSA-N D05010 LS-85054 Metopimazinum [INN-Latin] UNII-238S75V9AV 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]- CAS_26388 EXP 999 Phenothiazine, 10-(3-(4'-carbamoylpiperidino)propyl)-2-methylsulfonyl- ZINC537996 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 CHEMBL398615 ISONIPECOTAMIDE, 1-(3-(2-(METHYLSULFONYL)PHENOTHIAZIN-10-YL)PROPYL)- Metopimazine [USAN:INN:BAN] SCHEMBL49905 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 BRN 4278585 DTXSID80161224 Metopimazina Nortrip US9132134, Metopimazine (NG101) 1-[3-[2-(Methylsulfonyl)-10H-phenothiazin-10-yl]propyl]piperidin-4-carboxamide CHEBI:135726 EXP-999 Metopimazine (USAN/INN) RP 9965 1-(3-(2-(Methylsulfonyl)phenothiazin-10-yl)propyl)isonipecotamide 118285-EP2275420A1 238S75V9AV AN-17207 CTK8E9457 J-007351 Metopimazinum TX-013443 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 C22H27N3O3S2 EINECS 237-818-4 Metopimazina [INN-Spanish] NSC_26388 Vogalene 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 FT-0672379 Metopimazine [USAN:BAN:INN] RP-9965 1-(3-(2-methylsulfonylphenothiazin-10-yl) propyl)isonipecotinamide 118285-EP2298764A1 4-Piperidinecarboxamide, 1-(3-(2-(methanesulfonyl)phenothiazin-10-yl)propyl)- BCP9000921 [ 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

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218