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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

NameCHEMBL1269134
Molecular formulaC31H50N6O5
IUPAC nameN-[(2S)-1-[[(2S,3S)-1-[4-[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
XlogP3.5
SynonymsBDBM50329489
5-Isoxazoyl-Cha-Ile-(piperidin-3-yl)-(4-[aminomethyl]piperidin-1-yl)methanone
Inchi KeyBGUZNKWHYVIOKM-NOOLENRPSA-N
Inchi IDInChI=1S/C31H50N6O5/c1-3-21(2)27(31(41)37-17-12-24(13-18-37)30(40)36-15-10-23(20-32)11-16-36)35-28(38)25(19-22-7-5-4-6-8-22)34-29(39)26-9-14-33-42-26/h9,14,21-25,27H,3-8,10-13,15-20,32H2,1-2H3,(H,34,39)(H,35,38)/t21-,25-,27-/m0/s1
PubChem CID49788378
ChEMBLCHEMBL1269134
IUPHARN/A
BindingDB50329489
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5012589.0 nMPMID20873792BindingDB
EC5012589.2 nMPMID20873792ChEMBL
EC5013700.0 nMPMID20873792ChEMBL

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