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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

NameHAMI3379
Molecular formulaC34H45NO8
IUPAC name3-[(3-carboxycyclohexyl)carbamoyl]-4-[3-[4-(4-cyclohexyloxybutoxy)phenyl]propoxy]benzoic acid
Molecular weight595.733
Hydrogen bond acceptor8
Hydrogen bond donor3
XlogP6.2
Synonyms3-[(3-carboxycyclohexyl)carbamoyl]-4-[3-[4-(4-cyclohexyloxybutoxy)phenyl]propoxy]benzoic Acid
DTXSID80439859
712313-35-4
MolPort-027-641-329
CHEMBL3342944
[ Show all ]
Inchi KeyHRJWSEPIRZRGCL-UHFFFAOYSA-N
Inchi IDInChI=1S/C34H45NO8/c36-32(35-27-10-6-9-25(22-27)33(37)38)30-23-26(34(39)40)15-18-31(30)43-21-7-8-24-13-16-29(17-14-24)42-20-5-4-19-41-28-11-2-1-3-12-28/h13-18,23,25,27-28H,1-12,19-22H2,(H,35,36)(H,37,38)(H,39,40)
PubChem CID10438479
ChEMBLCHEMBL3342944
IUPHAR6197
BindingDB50033098
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
IC503.8 nMPMID26200813BindingDB,ChEMBL
IC503.8 - 4.4 nMPMID20423349IUPHAR
IC5038.0 nMPMID26985325, PMID25408836, PMID20423349BindingDB,IUPHAR,ChEMBL

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