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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

NameCHEMBL3342948
Molecular formulaC26H26N2O5
IUPAC name7-[[4-(4-phenylbutoxy)benzoyl]amino]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylic acid
Molecular weight446.503
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP4.8
SynonymsBDBM50033100
Inchi KeyXECLZFPGQBDBIY-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H26N2O5/c29-25(28-20-11-14-22-23(16-20)33-24(17-27-22)26(30)31)19-9-12-21(13-10-19)32-15-5-4-8-18-6-2-1-3-7-18/h1-3,6-7,9-14,16,24,27H,4-5,8,15,17H2,(H,28,29)(H,30,31)
PubChem CID118716772
ChEMBLCHEMBL3342948
IUPHARN/A
BindingDB50033100
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition36.0 %PMID25408836ChEMBL

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