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	5-Methylurapidil
Molecular formula	C21H31N5O3
IUPAC name	6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3,5-trimethylpyrimidine-2,4-dione
Molecular weight	401.511
Hydrogen bond acceptor	6
Hydrogen bond donor	1
XlogP	1.9
Synonyms	LP01275 NCGC00016067-05 SMR000326902 ZINC2012436 34661-85-3 6-((3-(4-(2-Methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3,5-trimethyl-2,4(1H,3H)-pyrimidinedione C21H31N5O3 HMS2232C19 MLS000860044 NCGC00094511-03 Tox21_501275 5-Methyl-6[[3-[4-(2-methoxyphenyl)-1-piperazinyl]-propyl]-amino]-1,3-dimethyluracil 6-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propylamino}-1,3,5-trimethyl-1H-pyrimidine-2,4-dione CHEMBL420060 J-001436 NCGC00016067-03 PDSP2_001602 URAPIDIL 5-METHYL- 2,4(1H,3H)-Pyrimidinedione, 6-((3-(4-(2-methoxyphenyl)-1-piperazinyl)propyl)amino)-1,3,5-trimethyl- ACM34661853 EU-0101275 Lopac-U-101 LS-174487 NCGC00094511-01 SR-01000075287 6-({3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl}amino)-1,3,5-trimethylpyrimidine-2,4(1h,3h)-dione CCG-205348 HMS3263P12 NCGC00016067-01 NCGC00261960-01 U-101 5-Methyl-6[[3-[4-(o-Methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3-dimethyluracil AC1L1KSW CTK4H2779 J-019692 NCGC00016067-04 SCHEMBL6375436 Urapidil, 5-Methyl- 2,4(1H,3H)-Pyrimidinedione,6-[[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]amino]-1,3,5-trimethyl- BDBM50033112 GTPL489 Lopac0_001275 MFCD00078602 NCGC00094511-02 SR-01000075287-1 5 Methylurapidil 6-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-1,3,5-trimethylpyrimidine-2,4-dione HMS3373B21 NCGC00016067-02 PDSP1_001618 UNII-1HLS600135 1HLS600135 5-Methyl-urapidil AC1Q6CC3 D0V6DJ L000080 [ Show all ]
Inchi Key	HIHZDNKKIUQQSC-UHFFFAOYSA-N
Inchi ID	InChI=1S/C21H31N5O3/c1-16-19(23(2)21(28)24(3)20(16)27)22-10-7-11-25-12-14-26(15-13-25)17-8-5-6-9-18(17)29-4/h5-6,8-9,22H,7,10-15H2,1-4H3
PubChem CID	5640
ChEMBL	CHEMBL420060
IUPHAR	489
BindingDB	50033112
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
115736	5-hydroxytryptamine receptor 1A	P08908	HTR1A	Homo sapiens (Human)	422
115730	Alpha-1A adrenergic receptor	P18130	ADRA1A	Bos taurus (Bovine)	466
115732	Alpha-1A adrenergic receptor	Q9WU25	ADRA1A	Cavia porcellus (Guinea pig)	466
115733	Alpha-1A adrenergic receptor	P43140	Adra1a	Rattus norvegicus (Rat)	466
115737	Alpha-1A adrenergic receptor	P35348	ADRA1A	Homo sapiens (Human)	466
115739	Alpha-1A adrenergic receptor	O02824	ADRA1A	Oryctolagus cuniculus (Rabbit)	466
115728	Alpha-1B adrenergic receptor	P18841	ADRA1B	Mesocricetus auratus (Golden hamster)	515
115729	Alpha-1B adrenergic receptor	P35368	ADRA1B	Homo sapiens (Human)	520
115731	Alpha-1D adrenergic receptor	P25100	ADRA1D	Homo sapiens (Human)	572
115734	Alpha-1D adrenergic receptor	P23944	Adra1d	Rattus norvegicus (Rat)	561
115735	Alpha-2A adrenergic receptor	P08913	ADRA2A	Homo sapiens (Human)	450
115740	Alpha-2B adrenergic receptor	P18089	ADRA2B	Homo sapiens (Human)	450
115738	Alpha-2C adrenergic receptor	P18825	ADRA2C	Homo sapiens (Human)	462
555922	D(2) dopamine receptor	P61169	Drd2	Rattus norvegicus (Rat)	444
115727	Muscarinic acetylcholine receptor M1	P08482	Chrm1	Rattus norvegicus (Rat)	460

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