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 DMFold 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
SpeciesRattus norvegicus (Rat)
GenePtafr
SynonymAGEPC receptor
PAF receptor
PAF-R
PAFr
DiseaseN/A for non-human GPCRs
Length341
Amino acid sequenceMEQNGSFRVDSEFRYTLFPIVYSVIFVLGVVANGYVLWVFATLYPSKKLNEIKIFMVNLTVADLLFLMTLPLWIVYYSNEGDWIVHKFLCNLAGCLFFINTYCSVAFLGVITYNRYQAVAYPIKTAQATTRKRGITLSLVIWISIAATASYFLATDSTNVVPKKDGSGNITRCFEHYEPYSVPILVVHIFITSCFFLVFFLIFYCNMVIIHTLLTRPVRQQRKPEVKRRALWMVCTVLAVFVICFVPHHVVQLPWTLAELGYQTNFHQAINDAHQITLCLLSTNCVLDPVIYCFLTKKFRKHLSEKFYSMRSSRKCSRATSDTCTEVMMPANQTPVLPLKN
UniProtP46002
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4127
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL100853
Molecular formulaC21H25N5O
IUPAC name2-[4-(3-amino-3-phenylpropanoyl)piperazin-1-yl]-2-(2-methylpyridin-3-yl)acetonitrile
Molecular weight363.465
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP0.9
SynonymsSCHEMBL9129835
[4-(3-Amino-3-phenyl-propionyl)-piperazin-1-yl]-(2-methyl-pyridin-3-yl)-acetonitrile
[4-[3-Phenyl-1-oxo-3-aminopropyl]piperazin-1-yl](2-methyl-3-pyridyl)acetonitrile
BDBM50046005
Inchi KeyHEHIASJYLABZLO-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25N5O/c1-16-18(8-5-9-24-16)20(15-22)25-10-12-26(13-11-25)21(27)14-19(23)17-6-3-2-4-7-17/h2-9,19-20H,10-14,23H2,1H3
PubChem CID10316662
ChEMBLCHEMBL100853
IUPHARN/A
BindingDB50046005
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
ID500.92 mg.kg-1PMID8411016ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218