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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

NameCHEMBL3401686
Molecular formulaC30H33NO7
IUPAC name4-(3-carboxypropyl)-8-[[4-(4-phenylbutoxy)phenyl]methoxy]-2,3-dihydro-1,4-benzoxazine-2-carboxylic acid
Molecular weight519.594
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP5.4
SynonymsBDBM50066897
SCHEMBL3099462
Inchi KeyLCGNELSSXGIQNV-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H33NO7/c32-28(33)13-7-18-31-20-27(30(34)35)38-29-25(31)11-6-12-26(29)37-21-23-14-16-24(17-15-23)36-19-5-4-10-22-8-2-1-3-9-22/h1-3,6,8-9,11-12,14-17,27H,4-5,7,10,13,18-21H2,(H,32,33)(H,34,35)
PubChem CID11249398
ChEMBLCHEMBL3401686
IUPHARN/A
BindingDB50066897
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
IC5030.0 nMPMID25800431BindingDB,ChEMBL

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