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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

NameCHEMBL1689562
Molecular formulaC32H55N11O6
IUPAC name6-amino-N-[(2S)-1-[[(2S,3S)-1-[[2-[[(2S)-1-[[(2S)-1-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]pyridine-2-carboxamide
Molecular weight689.863
Hydrogen bond acceptor9
Hydrogen bond donor9
XlogP0.8
Synonyms6-amino-N-((4S,7S,13S,16S)-13-sec-butyl-4-carbamoyl-7-(3-guanidinopropyl)-2,18-dimethyl-6,9,12,15-tetraoxo-5,8,11,14-tetraazanonadecan-16-yl)picolinamide
BDBM50339247
Inchi KeyKVIFFFNKCITKAV-OPTWNZHXSA-N
Inchi IDInChI=1S/C32H55N11O6/c1-7-19(6)26(43-30(48)23(15-18(4)5)42-28(46)20-10-8-12-24(33)39-20)31(49)38-16-25(44)40-21(11-9-13-37-32(35)36)29(47)41-22(27(34)45)14-17(2)3/h8,10,12,17-19,21-23,26H,7,9,11,13-16H2,1-6H3,(H2,33,39)(H2,34,45)(H,38,49)(H,40,44)(H,41,47)(H,42,46)(H,43,48)(H4,35,36,37)/t19-,21-,22-,23-,26-/m0/s1
PubChem CID51351408
ChEMBLCHEMBL1689562
IUPHARN/A
BindingDB50339247
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
Activity<5.0 %PMID21294569ChEMBL
Activity27.1 %PMID21294569ChEMBL
Activity94.4 %PMID21294569ChEMBL
Activity99.3 %PMID21294569ChEMBL
EC503500.0 nMPMID21294569BindingDB,ChEMBL

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