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	Cavia porcellus (Guinea pig)
Gene	PTAFR
Synonym	PAF-R PAFr
Disease	N/A for non-human GPCRs
Length	342
Amino acid sequence	MELNSSSRVDSEFRYTLFPIVYSIIFVLGIIANGYVLWVFARLYPSKKLNEIKIFMVNLTVADLLFLITLPLWIVYYSNQGNWFLPKFLCNLAGCLFFINTYCSVAFLGVITYNRFQAVKYPIKTAQATTRKRGIALSLVIWVAIVAAASYFLVMDSTNVVSNKAGSGNITRCFEHYEKGSKPVLIIHICIVLGFFIVFLLILFCNLVIIHTLLRQPVKQQRNAEVRRRALWMVCTVLAVFVICFVPHHMVQLPWTLAELGMWPSSNHQAINDAHQVTLCLLSTNCVLDPVIYCFLTKKFRKHLSEKLNIMRSSQKCSRVTTDTGTEMAIPINHTPVNPIKN
UniProt	P21556
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	CHEMBL5136
IUPHAR	N/A
DrugBank	N/A

Ligand

Name	CHEMBL3215984
Molecular formula	C18H20Cl2N4O
IUPAC name	2-(4-benzoylpiperazin-1-yl)-2-pyridin-3-ylacetonitrile;dihydrochloride
Molecular weight	379.285
Hydrogen bond acceptor	4
Hydrogen bond donor	2
XlogP	None
Synonyms	N/A
Inchi Key	BKJWMTWOOIACDT-UHFFFAOYSA-N
Inchi ID	InChI=1S/C18H18N4O.2ClH/c19-13-17(16-7-4-8-20-14-16)21-9-11-22(12-10-21)18(23)15-5-2-1-3-6-15;;/h1-8,14,17H,9-12H2;2*1H
PubChem CID	90664535
ChEMBL	CHEMBL3215984
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.

Experimental Data

Parameter	Value	Reference	Database source
IC50	4800.0 nM	PMID1433215	ChEMBL

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