Zhang Lab

National University of Singapore

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 ●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:

Check the ligand table for details.
Go to the GPCR list to see GPCRs with which this ligand interacts.
Go to the individual GPCR page for PubMed ID information by text mining.
Download a TSV version of all interaction data.
Go back to previous page.

Ligand

Name	Metrenperone
Molecular formula	C24H26FN3O2
IUPAC name	3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one
Molecular weight	407.489
Hydrogen bond acceptor	5
Hydrogen bond donor	0
XlogP	2.7
Synonyms	3-[2-[4-(4-Fluorobenzoyl)-1-piperidinyl]ethyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one BDBM82382 Metrenperona R 50 970 4H-Pyrido(1,2-a)pyrimidin-4-one, 3-(2-(4-(4-fluorobenzoyl)-1-piperidinyl)ethyl)-2,7-dimethyl- D04EYR Metrenperone (USAN/INN) SCHEMBL2109868 W1O4FV809G 3-(2-(4-(4-Fluorobenzoyl)-1-piperidyl)ethyl)-2,7-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one AC1L2H8G EINECS 279-678-7 Metrenperonum [INN-Latin] 3-[2-[4-(4-Fluorobenzoyl)-1-piperidyl]ethyl]-2,7-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one CAS_72005 Metrenperona [INN-Spanish] R 50970 81043-56-3 D05015 Metrenperone [USAN:INN:BAN] Sinomedol ZINC537997 3-(2-(4-(p-Fluorobenzoyl)piperidino)ethyl)-2,7-dimethyl-4H-pyrido(1,2-a)pyrimidin-4-one AC1Q4NI9 FT-0672391 NSC_72005 3-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-2,7-dimethylpyrido[1,2-a]pyrimidin-4-one CHEMBL2104852 R-50970 UNII-W1O4FV809G DTXSID20230867 Metrenperonum [ Show all ]
Inchi Key	AXQRPYKSPHUOGZ-UHFFFAOYSA-N
Inchi ID	InChI=1S/C24H26FN3O2/c1-16-3-8-22-26-17(2)21(24(30)28(22)15-16)11-14-27-12-9-19(10-13-27)23(29)18-4-6-20(25)7-5-18/h3-8,15,19H,9-14H2,1-2H3
PubChem CID	72005
ChEMBL	N/A
IUPHAR	N/A
BindingDB	82382
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Known GPCRs

You can:

Click GLASS IDs to check the association information.
Click protein names to check details of the GPCRs.
Download a TSV version of all interaction information.

GLASS ID	Name	UniProt	Gene	Species	Length
16988	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
16987	Alpha-2C adrenergic receptor	P22086	Adra2c	Rattus norvegicus (Rat)	458

zhanglabzhanggroup.org | +65-6601-1241 | Computing 1, 13 Computing Drive, Singapore 117417