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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

NameCHEMBL3342956
Molecular formulaC31H34N2O7
IUPAC name4-(4-carboxybutyl)-8-[[4-(4-phenylbutoxy)benzoyl]amino]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Molecular weight546.62
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP5.1
SynonymsBDBM50033086
Inchi KeySLUKVGDEBHNLTK-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H34N2O7/c34-28(35)14-4-6-19-33-21-27(31(37)38)40-29-25(12-8-13-26(29)33)32-30(36)23-15-17-24(18-16-23)39-20-7-5-11-22-9-2-1-3-10-22/h1-3,8-10,12-13,15-18,27H,4-7,11,14,19-21H2,(H,32,36)(H,34,35)(H,37,38)
PubChem CID118716777
ChEMBLCHEMBL3342956
IUPHARN/A
BindingDB50033086
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
IC50170.0 nMPMID25408836BindingDB,ChEMBL

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