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GPCR

NamePlatelet-activating factor receptor
SpeciesHomo sapiens (Human)
GenePTAFR
SynonymPAFr
PAF-R
PAF receptor
AGEPC receptor
DiseaseNerve injury
Ocular allergy
Pain
Unspecified
Psoriasis
[ Show all ]
Length342
Amino acid sequenceMEPHDSSHMDSEFRYTLFPIVYSIIFVLGVIANGYVLWVFARLYPCKKFNEIKIFMVNLTMADMLFLITLPLWIVYYQNQGNWILPKFLCNVAGCLFFINTYCSVAFLGVITYNRFQAVTRPIKTAQANTRKRGISLSLVIWVAIVGAASYFLILDSTNTVPDSAGSGNVTRCFEHYEKGSVPVLIIHIFIVFSFFLVFLIILFCNLVIIRTLLMQPVQQQRNAEVKRRALWMVCTVLAVFIICFVPHHVVQLPWTLAELGFQDSKFHQAINDAHQVTLCLLSTNCVLDPVIYCFLTKKFRKHLTEKFYSMRSSRKCSRATTDTVTEVVVPFNQIPGNSLKN
UniProtP25105
Protein Data Bank5zkq, 5zkp
GPCR-HGmod modelP25105
3D structure modelThis structure is from PDB ID 5zkq.
BioLiPBL0417415, BL0417417,BL0417419, BL0417416,BL0417418, BL0417414
Therapeutic Target DatabaseT87023
ChEMBLCHEMBL250
IUPHAR334
DrugBankBE0005561

Ligand

NameCHEMBL293773
Molecular formulaC31H38O10S2
IUPAC name(5S)-2-[4-[2-(benzenesulfonyl)ethoxy]-3-methoxy-5-propylsulfonylphenyl]-5-(3,4,5-trimethoxyphenyl)oxolane
Molecular weight634.755
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP4.5
SynonymsBDBM50280339
L-671284
(S)-2-[4-(2-Benzenesulfonyl-ethoxy)-3-methoxy-5-(propane-1-sulfonyl)-phenyl]-5-(3,4,5-trimethoxy-phenyl)-tetrahydro-furan
Inchi KeyBXWTUZMSCVMABI-SKCDSABHSA-N
Inchi IDInChI=1S/C31H38O10S2/c1-6-15-43(34,35)29-20-22(19-28(38-4)31(29)40-14-16-42(32,33)23-10-8-7-9-11-23)25-13-12-24(41-25)21-17-26(36-2)30(39-5)27(18-21)37-3/h7-11,17-20,24-25H,6,12-16H2,1-5H3/t24-,25?/m0/s1
PubChem CID44297792
ChEMBLCHEMBL293773
IUPHARN/A
BindingDB50280339
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC501.0 nM, Bioorg. Med. Chem. Lett., (1992) 2:2:181BindingDB,ChEMBL
Inhibition72.0 %Bioorg. Med. Chem. Lett., (1992) 2:2:181ChEMBL
Ki1.0 nM, Bioorg. Med. Chem. Lett., (1992) 2:2:181BindingDB,ChEMBL

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