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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

NameCHEMBL2431617
Molecular formulaC32H42N4O4
IUPAC nameN-[(2S)-3-cyclohexyl-1-[[(2S,3S)-3-methyl-1-oxo-1-spiro[indene-1,4'-piperidine]-1'-ylpentan-2-yl]amino]-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight546.712
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.5
SynonymsBDBM50440868
AKOS027323230
Inchi KeyDCUDDCGUKZLQLN-MCOVPRHSSA-N
Inchi IDInChI=1S/C32H42N4O4/c1-3-22(2)28(31(39)36-19-16-32(17-20-36)15-13-24-11-7-8-12-25(24)32)35-29(37)26(21-23-9-5-4-6-10-23)34-30(38)27-14-18-33-40-27/h7-8,11-15,18,22-23,26,28H,3-6,9-10,16-17,19-21H2,1-2H3,(H,34,38)(H,35,37)/t22-,26-,28-/m0/s1
PubChem CID57330164
ChEMBLCHEMBL2431617
IUPHARN/A
BindingDB50440868
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
Activity16.0 %PMID26725028ChEMBL
IC501000.0 nMPMID26725028, PMID23895492BindingDB,ChEMBL
IC501100.0 nMPMID27994760BindingDB,ChEMBL
IC501258.93 nMPMID26725028ChEMBL
IC501259.0 nMPMID26725028BindingDB
IC501584.89 nMPMID27994760ChEMBL
IC501585.0 nMPMID27994760BindingDB
IC502000.0 nMPMID26631441BindingDB,ChEMBL
IC503600.0 nMPMID27994760BindingDB,ChEMBL
IC509600.0 nMPMID26725028BindingDB,ChEMBL
IC5010000.0 nMPMID26725028BindingDB,ChEMBL
Inhibition54.0 %PMID26725028ChEMBL
Inhibition92.0 %PMID27994760ChEMBL

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