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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

NameCID 73356960
Molecular formulaC99H179N29O31S
IUPAC name(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-(hexadecanoylamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-carboxypropanoyl]amino]-4-carboxybutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]hexanoic acid
Molecular weight2303.75
Hydrogen bond acceptor38
Hydrogen bond donor37
XlogP-14.8
SynonymsN/A
Inchi KeyFZODOLOXYVXCKS-XJHBUOHHSA-N
Inchi IDInChI=1S/C99H179N29O31S/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-37-75(134)113-59(35-29-47-109-98(105)106)82(143)125-73(55-132)95(156)127-71(53-130)93(154)111-57(4)80(141)114-66(42-49-160-6)89(150)123-69(51-78(139)140)91(152)119-65(39-41-77(137)138)88(149)122-68(50-74(104)133)90(151)126-72(54-131)94(155)120-64(38-40-76(135)136)87(148)117-61(32-22-26-44-101)83(144)115-60(31-21-25-43-100)84(145)118-63(36-30-48-110-99(107)108)85(146)116-62(33-23-27-45-102)86(147)124-70(52-129)92(153)112-58(5)81(142)128-79(56(3)8-2)96(157)121-67(97(158)159)34-24-28-46-103/h56-73,79,129-132H,7-55,100-103H2,1-6H3,(H2,104,133)(H,111,154)(H,112,153)(H,113,134)(H,114,141)(H,115,144)(H,116,146)(H,117,148)(H,118,145)(H,119,152)(H,120,155)(H,121,157)(H,122,149)(H,123,150)(H,124,147)(H,125,143)(H,126,151)(H,127,156)(H,128,142)(H,135,136)(H,137,138)(H,139,140)(H,158,159)(H4,105,106,109)(H4,107,108,110)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,79-/m0/s1
PubChem CID73356960
ChEMBLCHEMBL2431721
IUPHARN/A
BindingDB50440858
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
IC50140.0 nMPMID23895492BindingDB,ChEMBL
Inhibition77.0 %PMID23895492ChEMBL
Inhibition100.0 %PMID23895492ChEMBL

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