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

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
ID504.2 mg.kg-1PMID1433215ChEMBL

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