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GPCR

NameProteinase-activated receptor 2
SpeciesHomo sapiens (Human)
GeneF2RL1
SynonymProtease-activated receptor-2
PAR2
PAR-2
GPR11
G-protein coupled receptor 11
[ Show all ]
DiseaseN/A
Length397
Amino acid sequenceMRSPSAAWLLGAAILLAASLSCSGTIQGTNRSSKGRSLIGKVDGTSHVTGKGVTVETVFSVDEFSASVLTGKLTTVFLPIVYTIVFVVGLPSNGMALWVFLFRTKKKHPAVIYMANLALADLLSVIWFPLKIAYHIHGNNWIYGEALCNVLIGFFYGNMYCSILFMTCLSVQRYWVIVNPMGHSRKKANIAIGISLAIWLLILLVTIPLYVVKQTIFIPALNITTCHDVLPEQLLVGDMFNYFLSLAIGVFLFPAFLTASAYVLMIRMLRSSAMDENSEKKRKRAIKLIVTVLAMYLICFTPSNLLLVVHYFLIKSQGQSHVYALYIVALCLSTLNSCIDPFVYYFVSHDFRDHAKNALLCRSVRTVKQMQVSLTSKKHSRKSSSYSSSSTTVKTSY
UniProtP55085
Protein Data Bank5ndz, 5ndd
GPCR-HGmod modelP55085
3D structure modelThis structure is from PDB ID 5ndz.
BioLiPBL0377325, BL0377326
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5963
IUPHAR348
DrugBankN/A

Ligand

NameCHEMBL3976309
Molecular formulaC33H53N5O5
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[(1S,4aR,8aR)-1-(tert-butylcarbamoyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight599.817
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP6.5
SynonymsN/A
Inchi KeyKASJVGSJSJXIER-ZRDWDXOKSA-N
Inchi IDInChI=1S/C33H53N5O5/c1-6-21(2)27(32(42)38-19-17-23-14-10-11-15-24(23)28(38)31(41)37-33(3,4)5)36-29(39)25(20-22-12-8-7-9-13-22)35-30(40)26-16-18-34-43-26/h16,18,21-25,27-28H,6-15,17,19-20H2,1-5H3,(H,35,40)(H,36,39)(H,37,41)/t21-,23+,24+,25-,27-,28-/m0/s1
PubChem CID134152055
ChEMBLCHEMBL3976309
IUPHARN/A
BindingDBN/A
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
Inhibition38.0 %PMID27994760ChEMBL

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