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GPCR

NameCysteinyl leukotriene receptor 2
SpeciesHomo sapiens (Human)
GeneCYSLTR2
SynonymCysLTR2
CysLT2 receptor
LTC4
HPN321
hGPCR21
[ Show all ]
DiseaseUnspecified
Asthma
Length346
Amino acid sequenceMERKFMSLQPSISVSEMEPNGTFSNNNSRNCTIENFKREFFPIVYLIIFFWGVLGNGLSIYVFLQPYKKSTSVNVFMLNLAISDLLFISTLPFRADYYLRGSNWIFGDLACRIMSYSLYVNMYSSIYFLTVLSVVRFLAMVHPFRLLHVTSIRSAWILCGIIWILIMASSIMLLDSGSEQNGSVTSCLELNLYKIAKLQTMNYIALVVGCLLPFFTLSICYLLIIRVLLKVEVPESGLRVSHRKALTTIIITLIIFFLCFLPYHTLRTVHLTTWKVGLCKDRLHKALVITLALAAANACFNPLLYYFAGENFKDRLKSALRKGHPQKAKTKCVFPVSVWLRKETRV
UniProtQ9NS75
Protein Data BankN/A
GPCR-HGmod modelQ9NS75
3D structure modelThis predicted structure model is from GPCR-EXP Q9NS75.
BioLiPN/A
Therapeutic Target DatabaseT74238
ChEMBLCHEMBL4330
IUPHAR270
DrugBankBE0000099

Ligand

NameCHEMBL3808722
Molecular formulaC22H19Cl2NO4
IUPAC name4,6-dichloro-3-[(E)-3-oxo-3-(4-phenylbutoxy)prop-1-enyl]-1H-indole-2-carboxylic acid
Molecular weight432.297
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP6.1
SynonymsBDBM50172357
Inchi KeyVGWGLUANXTUFPH-MDZDMXLPSA-N
Inchi IDInChI=1S/C22H19Cl2NO4/c23-15-12-17(24)20-16(21(22(27)28)25-18(20)13-15)9-10-19(26)29-11-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,9-10,12-13,25H,4-5,8,11H2,(H,27,28)/b10-9+
PubChem CID127043409
ChEMBLCHEMBL3808722
IUPHARN/A
BindingDB50172357
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50<100000.0 nMPMID26985325BindingDB,ChEMBL

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