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GPCR

NamePlatelet-activating factor receptor
SpeciesMus musculus (Mouse)
GenePtafr
SynonymAGEPC receptor
PAF receptor
PAF-R
PAFr
DiseaseN/A for non-human GPCRs
Length341
Amino acid sequenceMEHNGSFRVDSEFRYTLFPIVYSVIFILGVVANGYVLWVFANLYPSKKLNEIKIFMVNLTMADLLFLITLPLWIVYYYNEGDWILPNFLCNVAGCLFFINTYCSVAFLGVITYNRYQAVAYPIKTAQATTRKRGISLSLIIWVSIVATASYFLATDSTNLVPNKDGSGNITRCFEHYEPYSVPILVVHVFIAFCFFLVFFLIFYCNLVIIHTLLTQPMRQQRKAGVKRRALWMVCTVLAVFIICFVPHHVVQLPWTLAELGYQTNFHQAINDAHQITLCLLSTNCVLDPVIYCFLTKKFRKHLSEKFYSMRSSRKCSRATSDTCTEVIVPANQTPIVSLKN
UniProtQ62035
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3993
IUPHAR334
DrugBankN/A

Ligand

NameCHEMBL408135
Molecular formulaC39H38ClN7O4S
IUPAC nameethyl 5-[(E)-[[4-[9-(2-chlorophenyl)-3,7-dimethyl-17-thia-2,4,5,8,14-pentazatetracyclo[8.7.0.02,6.011,16]heptadeca-1(10),3,5,8,11(16)-pentaene-14-carbonyl]phenyl]-pyridin-3-ylmethylidene]amino]oxypentanoate
Molecular weight736.288
Hydrogen bond acceptor10
Hydrogen bond donor0
XlogP6.4
SynonymsBDBM50109129
ethyl 5-{[1-{4-[6-(2-chlorophenyl)-1,4-dimethyl-7,8,9,10-tetrahydro-4H-pyrido[4'',3'':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-ylcarbonyl]phenyl}-1-(3-pyridyl)-(E)-methylideneamino]-oxy-}pentanoate
5-[(4-[1,4-dimethyl-6-(2-chloro-phenyl)-7,8,9,10-tetrahydro-4H-pyrido[4'',3'':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-9-yl-carbonyl]-phenyl)-pyridin-3-yl-methyleneaminooxy]-pentanoic acid ethyl ester
5-[[(Z)-alpha-(3-Pyridyl)-4-[1,4-dimethyl-6-(2-chlorophenyl)-7,8,9,10-tetrahydro-4H-pyrido[4',3':4,5]thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine-9-ylcarbonyl]benzylidene]aminooxy]valeric acid ethyl ester
Inchi KeyFBBBXZWXQIKLII-WQZCAYQQSA-N
Inchi IDInChI=1S/C39H38ClN7O4S/c1-4-50-33(48)13-7-8-21-51-45-35(28-10-9-19-41-22-28)26-14-16-27(17-15-26)38(49)46-20-18-30-32(23-46)52-39-34(30)36(29-11-5-6-12-31(29)40)42-24(2)37-44-43-25(3)47(37)39/h5-6,9-12,14-17,19,22,24H,4,7-8,13,18,20-21,23H2,1-3H3/b45-35+
PubChem CID10462692
ChEMBLCHEMBL408135
IUPHARN/A
BindingDBN/A
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
ED500.2 mg.kg-1PMID11858999ChEMBL
ED500.5 mg.kg-1PMID11858999ChEMBL

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