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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

NameUNII-Z9T72Z578T
Molecular formulaC22H25N3O
IUPAC name[2-methyl-1-[(3-methylphenyl)methyl]benzimidazol-5-yl]-piperidin-1-ylmethanone
Molecular weight347.462
Hydrogen bond acceptor2
Hydrogen bond donor0
XlogP4.1
SynonymsMethanone, (2-methyl-1-((3-methylphenyl)methyl)-1H-benzimidazol-5-yl)-1-piperidinyl-
Adfence-P free base
CHEMBL2431620
(2-Methyl-1-(3-methylbenzyl)-1H-benzo(d)imidazol-5-yl)(piperidin-1-yl)methanone
Methylbenzyl methylbenzimidazole piperidinylmethanone
[ Show all ]
Inchi KeyFWLBCCWBWAZRLY-UHFFFAOYSA-N
Inchi IDInChI=1S/C22H25N3O/c1-16-7-6-8-18(13-16)15-25-17(2)23-20-14-19(9-10-21(20)25)22(26)24-11-4-3-5-12-24/h6-10,13-14H,3-5,11-12,15H2,1-2H3
PubChem CID56848967
ChEMBLCHEMBL2431620
IUPHARN/A
BindingDB50440865
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
IC50243000.0 nMPMID23895492BindingDB,ChEMBL

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