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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

NameCHEMBL1269140
Molecular formulaC31H50N6O5
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[2-[4-(aminomethyl)piperidine-1-carbonyl]piperidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-cyclohexyl-1-oxopropan-2-yl]-1,2-oxazole-5-carboxamide
Molecular weight586.778
Hydrogen bond acceptor7
Hydrogen bond donor3
XlogP3.9
Synonyms5-Isoxazoyl-Cha-Ile-(piperidin-2-yl)-(4-[aminomethyl]piperidin-1-yl)methanone
BDBM50329495
Inchi KeyHCWCVFOWRLDSMC-DNRLNLDBSA-N
Inchi IDInChI=1S/C31H50N6O5/c1-3-21(2)27(31(41)37-16-8-7-11-25(37)30(40)36-17-13-23(20-32)14-18-36)35-28(38)24(19-22-9-5-4-6-10-22)34-29(39)26-12-15-33-42-26/h12,15,21-25,27H,3-11,13-14,16-20,32H2,1-2H3,(H,34,39)(H,35,38)/t21-,24-,25?,27-/m0/s1
PubChem CID49788441
ChEMBLCHEMBL1269140
IUPHARN/A
BindingDB50329495
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC507100.0 nMPMID20873792ChEMBL
EC507943.0 nMPMID20873792BindingDB
EC507943.28 nMPMID20873792ChEMBL

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