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	CHEMBL52615
Molecular formula	C26H24Cl2N2O
IUPAC name	(2E)-5,5-bis(4-chlorophenyl)-N-(4-pyridin-3-ylbutyl)penta-2,4-dienamide
Molecular weight	451.391
Hydrogen bond acceptor	2
Hydrogen bond donor	1
XlogP	7.0
Synonyms	(E)-5,5-bis(4-chlorophenyl)-N-[4-(3-pyridinyl)butyl]-2,4-pentadienamide SCHEMBL9520309 BDBM50018387 DFAASFDJHUBGFH-FPYGCLRLSA-N 5,5-Bis-(4-chloro-phenyl)-penta-2,4-dienoic acid (4-pyridin-3-yl-butyl)-amide SCHEMBL10398860 [ Show all ]
Inchi Key	DFAASFDJHUBGFH-FPYGCLRLSA-N
Inchi ID	InChI=1S/C26H24Cl2N2O/c27-23-13-9-21(10-14-23)25(22-11-15-24(28)16-12-22)7-3-8-26(31)30-18-2-1-5-20-6-4-17-29-19-20/h3-4,6-17,19H,1-2,5,18H2,(H,30,31)/b8-3+
PubChem CID	14347341
ChEMBL	CHEMBL52615
IUPHAR	N/A
BindingDB	50018387
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand has a partition coefficient log P greater than 5.

Experimental Data

Parameter	Value	Reference	Database source
ID50	0.18 mg.kg-1	PMID2754709	ChEMBL
Inhibition	54.0 %	PMID2754709	ChEMBL

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