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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

NameCHEMBL2431716
Molecular formulaC30H42N4O4
IUPAC nameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-(4-phenylpiperidin-1-yl)pentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight522.69
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.9
SynonymsBDBM50440863
SCHEMBL15120109
Inchi KeyGIXATDRQTJETRE-NOOLENRPSA-N
Inchi IDInChI=1S/C30H42N4O4/c1-3-21(2)27(30(37)34-18-15-24(16-19-34)23-12-8-5-9-13-23)33-28(35)25(20-22-10-6-4-7-11-22)32-29(36)26-14-17-31-38-26/h5,8-9,12-14,17,21-22,24-25,27H,3-4,6-7,10-11,15-16,18-20H2,1-2H3,(H,32,36)(H,33,35)/t21-,25-,27-/m0/s1
PubChem CID56640042
ChEMBLCHEMBL2431716
IUPHARN/A
BindingDB50440863
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
EC501995.0 nMPMID27994760BindingDB
EC501995.26 nMPMID27994760ChEMBL
EC502200.0 nMPMID27994760BindingDB,ChEMBL
IC50100.0 nMPMID27994760BindingDB,ChEMBL
IC50109.0 nMPMID27994760BindingDB,ChEMBL
IC50700.0 nMPMID27994760, PMID23895492BindingDB,ChEMBL
IC50794.0 nMPMID27994760BindingDB
IC50794.33 nMPMID27994760ChEMBL
IC502200.0 nMPMID27994760BindingDB,ChEMBL
IC503600.0 nMPMID23895492BindingDB,ChEMBL
IC504500.0 nMPMID27994760BindingDB,ChEMBL
IC506500.0 nMPMID27994760BindingDB,ChEMBL
Inhibition93.0 %PMID27994760ChEMBL

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