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:

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	Platelet-activating factor receptor
Species	Rattus norvegicus (Rat)
Gene	Ptafr
Synonym	AGEPC receptor PAF receptor PAF-R PAFr
Disease	N/A for non-human GPCRs
Length	341
Amino acid sequence	MEQNGSFRVDSEFRYTLFPIVYSVIFVLGVVANGYVLWVFATLYPSKKLNEIKIFMVNLTVADLLFLMTLPLWIVYYSNEGDWIVHKFLCNLAGCLFFINTYCSVAFLGVITYNRYQAVAYPIKTAQATTRKRGITLSLVIWISIAATASYFLATDSTNVVPKKDGSGNITRCFEHYEPYSVPILVVHIFITSCFFLVFFLIFYCNMVIIHTLLTRPVRQQRKPEVKRRALWMVCTVLAVFVICFVPHHVVQLPWTLAELGYQTNFHQAINDAHQITLCLLSTNCVLDPVIYCFLTKKFRKHLSEKFYSMRSSRKCSRATSDTCTEVMMPANQTPVLPLKN
UniProt	P46002
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	CHEMBL4127
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL134025
Molecular formula	C16H22N4O
IUPAC name	2-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]-2-pyridin-3-ylacetonitrile
Molecular weight	286.379
Hydrogen bond acceptor	4
Hydrogen bond donor	0
XlogP	1.3
Synonyms	BDBM50003500 SCHEMBL9852903 2-[4-(2,2-Dimethylpropionyl)-1-piperazinyl]-2-(3-pyridinyl)acetonitrile [4-(2,2-Dimethyl-propionyl)-piperazin-1-yl]-pyridin-3-yl-acetonitrile
Inchi Key	AIFRPOVILWOZEW-UHFFFAOYSA-N
Inchi ID	InChI=1S/C16H22N4O/c1-16(2,3)15(21)20-9-7-19(8-10-20)14(11-17)13-5-4-6-18-12-13/h4-6,12,14H,7-10H2,1-3H3
PubChem CID	10085405
ChEMBL	CHEMBL134025
IUPHAR	N/A
BindingDB	50003500
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
ID50	<5.0 mg.kg-1	PMID1433215	ChEMBL

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