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

You can:

GPCR

NamePlatelet-activating factor receptor
SpeciesCavia porcellus (Guinea pig)
GenePTAFR
SynonymPAF-R
PAFr
DiseaseN/A for non-human GPCRs
Length342
Amino acid sequenceMELNSSSRVDSEFRYTLFPIVYSIIFVLGIIANGYVLWVFARLYPSKKLNEIKIFMVNLTVADLLFLITLPLWIVYYSNQGNWFLPKFLCNLAGCLFFINTYCSVAFLGVITYNRFQAVKYPIKTAQATTRKRGIALSLVIWVAIVAAASYFLVMDSTNVVSNKAGSGNITRCFEHYEKGSKPVLIIHICIVLGFFIVFLLILFCNLVIIHTLLRQPVKQQRNAEVRRRALWMVCTVLAVFVICFVPHHMVQLPWTLAELGMWPSSNHQAINDAHQVTLCLLSTNCVLDPVIYCFLTKKFRKHLSEKLNIMRSSQKCSRVTTDTGTEMAIPINHTPVNPIKN
UniProtP21556
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5136
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL134877
Molecular formulaC26H28N4O
IUPAC name2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]-2-(1-methylpyrrol-3-yl)acetonitrile
Molecular weight412.537
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP3.1
Synonyms2-[4-(3,3-Diphenylpropionyl)-1-piperazinyl]-2-(1-methyl-1H-pyrrol-3-yl)acetonitrile
BDBM50003535
[4-(3,3-Diphenyl-propionyl)-piperazin-1-yl]-(1-methyl-1H-pyrrol-3-yl)-acetonitrile
Inchi KeyGLGGFRRLQSUHIT-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H28N4O/c1-28-13-12-23(20-28)25(19-27)29-14-16-30(17-15-29)26(31)18-24(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-13,20,24-25H,14-18H2,1H3
PubChem CID10364365
ChEMBLCHEMBL134877
IUPHARN/A
BindingDB50003535
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC502600.0 nMPMID1433215BindingDB,ChEMBL

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