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

NameCHEMBL126981
Molecular formulaC33H57N2O5+
IUPAC name[4-(hexadecoxymethyl)oxolan-2-yl]methyl N-acetyl-N-[(1-ethylpyridin-1-ium-2-yl)methyl]carbamate
Molecular weight561.828
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP8.7
Synonyms1-Ethyl-2-[N-acetyl-N-[[(tetrahydro-4-hexadecyloxymethylfuran)-2-yl]methoxycarbonyl]aminomethyl]pyridinium
2-{[Acetyl-(4-hexadecyloxymethyl-tetrahydro-furan-2-ylmethoxycarbonyl)-amino]-methyl}-1-ethyl-pyridinium; chloride
BDBM50011055
SCHEMBL10516239
2-{[Acetyl-(4-hexadecyloxymethyl-tetrahydro-furan-2-ylmethoxycarbonyl)-amino]-methyl}-1-ethyl-pyridinium; iodide
[ Show all ]
Inchi KeyADBZQEHOWMTDKJ-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H57N2O5/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-20-23-38-26-30-24-32(39-27-30)28-40-33(37)35(29(3)36)25-31-21-18-19-22-34(31)5-2/h18-19,21-22,30,32H,4-17,20,23-28H2,1-3H3/q+1
PubChem CID14785973
ChEMBLN/A
IUPHARN/A
BindingDB50011055
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC508.2 nMPMID1992139BindingDB
IC5018.0 nMPMID1992139BindingDB

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