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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

NameCHEMBL439563
Molecular formulaC41H67N11O7
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide
Molecular weight826.057
Hydrogen bond acceptor8
Hydrogen bond donor10
XlogP3.4
SynonymsN/A
Inchi KeyFRNQWRRXQJYWLE-FGOVDBOSSA-N
Inchi IDInChI=1S/C41H67N11O7/c1-9-24(7)33(35(42)54)51-38(57)29(18-22(3)4)49-36(55)28(16-13-17-45-41(43)44)48-32(53)21-46-40(59)34(25(8)10-2)52-39(58)30(19-23(5)6)50-37(56)31-20-26-14-11-12-15-27(26)47-31/h11-12,14-15,20,22-25,28-30,33-34,47H,9-10,13,16-19,21H2,1-8H3,(H2,42,54)(H,46,59)(H,48,53)(H,49,55)(H,50,56)(H,51,57)(H,52,58)(H4,43,44,45)/t24-,25-,28-,29-,30-,33-,34-/m0/s1
PubChem CID44433906
ChEMBLCHEMBL439563
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50590.0 nMPMID17765542ChEMBL

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