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	Piribedil mesylate
Molecular formula	C17H22N4O5S
IUPAC name	2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine;methanesulfonic acid
Molecular weight	394.446
Hydrogen bond acceptor	9
Hydrogen bond donor	1
XlogP	None
Synonyms	52293-23-9 DTXSID30200314 Opera_ID_1848 Pyrimidine, 2-(4-piperonyl-1-piperazinyl)-, methanesulfonate ACM52293239 HMS2230N20 Piribedil methylsulfonate UNII-1U37NGM6KK 2-(4-(1,3-Benzodioxol-5-ylmethyl)piperazinyl)pyrimidinium methanesulphonate 2-[4-(1,3-Benzodioxol-5-ylmethyl)piperazinyl]pyrimidinium methanesulfonate LS-135518 Pyrimidine, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)-, monomethanesulfonate A823101 EINECS 257-818-8 SCHEMBL1652330 1-(3,4-METHYLENEDIOXYBENZYL)-4-(2-PYRIMIDYL)-PIPERAZINE MONO(METHANESULFONATE) SALT AKOS015918393 HMS3373M21 Piribedil monomethanesulfonate 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]pyrimidine; methanesulfonic acid 3605-01-4 (Parent) CHEMBL1468572 MLS000028838 Pyrimidine, 2-(4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl)-, monomethanesulfonate (9CI) AC1L5518 ET 495 methanesulfonate Piribedil methanesulfonate SMR000058709 1U37NGM6KK C16H18N4O2.CH4O3S I14-7668 Piribedil monomethylsulfonate 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidine; methanesulfonic acid [ Show all ]
Inchi Key	DEZKFCIOSKCCHK-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H18N4O2.CH4O3S/c1-4-17-16(18-5-1)20-8-6-19(7-9-20)11-13-2-3-14-15(10-13)22-12-21-14;1-5(2,3)4/h1-5,10H,6-9,11-12H2;1H3,(H,2,3,4)
PubChem CID	198284
ChEMBL	CHEMBL1468572
IUPHAR	N/A
BindingDB	N/A
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	Partition coefficient log P of this ligand is not available.

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
58293	5-hydroxytryptamine receptor 2A	P35363	Htr2a	Mus musculus (Mouse)	471
470120	D(3) dopamine receptor	P35462	DRD3	Homo sapiens (Human)	400
58294	Mu-type opioid receptor	P35372	OPRM1	Homo sapiens (Human)	400

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