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

NameCHEMBL3216628
Molecular formulaC25H29Cl2N3O
IUPAC name3,3-diphenyl-1-[4-(pyridin-3-ylamino)piperidin-1-yl]propan-1-one;dihydrochloride
Molecular weight458.427
Hydrogen bond acceptor3
Hydrogen bond donor3
XlogPNone
SynonymsN/A
Inchi KeyHCLONZWXFMAKMK-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H27N3O.2ClH/c29-25(28-16-13-22(14-17-28)27-23-12-7-15-26-19-23)18-24(20-8-3-1-4-9-20)21-10-5-2-6-11-21;;/h1-12,15,19,22,24,27H,13-14,16-18H2;2*1H
PubChem CID90664893
ChEMBLCHEMBL3216628
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
IC5087.0 nMPMID1433215ChEMBL

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