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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

NameCHEMBL410759
Molecular formulaC37H64N12O8
IUPAC name(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]acetyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-pyridin-4-ylpropanoyl]amino]-3-methylpentanamide
Molecular weight804.995
Hydrogen bond acceptor11
Hydrogen bond donor11
XlogP-1.1
SynonymsN/A
Inchi KeyITJNMJWZTWSUOQ-PTYPHENBSA-N
Inchi IDInChI=1S/C37H64N12O8/c1-7-21(5)29(31(39)52)48-35(56)27(17-23-11-14-42-15-12-23)47-33(54)25(10-9-13-43-37(40)41)45-28(51)18-44-36(57)30(22(6)8-2)49-34(55)26(16-20(3)4)46-32(53)24(38)19-50/h11-12,14-15,20-22,24-27,29-30,50H,7-10,13,16-19,38H2,1-6H3,(H2,39,52)(H,44,57)(H,45,51)(H,46,53)(H,47,54)(H,48,56)(H,49,55)(H4,40,41,43)/t21-,22-,24-,25-,26-,27-,29-,30-/m0/s1
PubChem CID44433867
ChEMBLCHEMBL410759
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC501900.0 nMPMID17765542ChEMBL

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