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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

NameBAYu9773
Molecular formulaC27H36O5S
IUPAC name4-[(4S,5R,6E,8E,10Z,13Z)-1-carboxy-4-hydroxynonadeca-6,8,10,13-tetraen-5-yl]sulfanylbenzoic acid
Molecular weight472.64
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP6.7
Synonyms4-[(5S,6R,7E,9E,11Z,14Z)-1,5-dihydroxy-1-oxoicosa-7,9,11,14-tetraen-6-yl]sulfanylbenzoic acid
Bay u9773
D05CNT
ZINC3787144
AC1NSJU2
[ Show all ]
Inchi KeyPKJINWOACFYDQN-RBVMPENBSA-N
Inchi IDInChI=1S/C27H36O5S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(28)15-14-17-26(29)30)33-23-20-18-22(19-21-23)27(31)32/h6-7,9-13,16,18-21,24-25,28H,2-5,8,14-15,17H2,1H3,(H,29,30)(H,31,32)/b7-6-,10-9-,12-11+,16-13+/t24-,25+/m0/s1
PubChem CID5311015
ChEMBLCHEMBL285954
IUPHAR3381
BindingDB50033096
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5069.0 nMPMID20423349IUPHAR
EC5092.0 nMPMID11093801IUPHAR
IC5018.0 - 19.0 nMPMID20423349IUPHAR
IC50300.0 nMPMID25408836, PMID11093801BindingDB,IUPHAR,ChEMBL
IC50400.0 - 597.0 nMPMID10851239, PMID11093801, PMID20423349IUPHAR
IC504600.0 nMPMID21903747IUPHAR
KB199.526 - 316.228 nMPMID1331415IUPHAR

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