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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

NameCHEMBL3932079
Molecular formulaC32H40F6N4O5
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[4-[2,4-bis(trifluoromethyl)phenyl]-4-hydroxypiperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight674.685
Hydrogen bond acceptor12
Hydrogen bond donor3
XlogP6.6
SynonymsN/A
Inchi KeyIRPMODOGHYKQTK-YLORPAJWSA-N
Inchi IDInChI=1S/C32H40F6N4O5/c1-3-19(2)26(41-27(43)24(17-20-7-5-4-6-8-20)40-28(44)25-11-14-39-47-25)29(45)42-15-12-30(46,13-16-42)22-10-9-21(31(33,34)35)18-23(22)32(36,37)38/h9-11,14,18-20,24,26,46H,3-8,12-13,15-17H2,1-2H3,(H,40,44)(H,41,43)/t19-,24-,26-/m0/s1
PubChem CID134138592
ChEMBLCHEMBL3932079
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition43.0 %PMID27994760ChEMBL

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