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GPCR

NameCannabinoid receptor 2
SpeciesHomo sapiens (Human)
GeneCNR2
SynonymPeripheral cannabinoid receptor
rCB2
hCB2
cannabinoid receptor 2 (macrophage)
cannabinoid receptor 2 (spleen)
[ Show all ]
DiseaseImmune disorder
Inflammatory bowel disease
Inflammatory disease
Neuropathic pain
Osteoporosis
[ Show all ]
Length360
Amino acid sequenceMEECWVTEIANGSKDGLDSNPMKDYMILSGPQKTAVAVLCTLLGLLSALENVAVLYLILSSHQLRRKPSYLFIGSLAGADFLASVVFACSFVNFHVFHGVDSKAVFLLKIGSVTMTFTASVGSLLLTAIDRYLCLRYPPSYKALLTRGRALVTLGIMWVLSALVSYLPLMGWTCCPRPCSELFPLIPNDYLLSWLLFIAFLFSGIIYTYGHVLWKAHQHVASLSGHQDRQVPGMARMRLDVRLAKTLGLVLAVLLICWFPVLALMAHSLATTLSDQVKKAFAFCSMLCLINSMVNPVIYALRSGEIRSSAHHCLAHWKKCVRGLGSEAKEEAPRSSVTETEADGKITPWPDSRDLDLSDC
UniProtP34972
Protein Data Bank5zty
GPCR-HGmod modelP34972
3D structure modelThis structure is from PDB ID 5zty.
BioLiPBL0438927
Therapeutic Target DatabaseT37693
ChEMBLCHEMBL253
IUPHAR57
DrugBankBE0000095

Ligand

NameCHEMBL3937055
Molecular formulaC16H19F2N3O5S
IUPAC nameN-[3-(2-amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide
Molecular weight403.401
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP0.6
SynonymsSCHEMBL15790261
AAVHYKWHFWGNRD-UHFFFAOYSA-N
BDBM240559
US9409866, 274
N-[3-(2-amino-2-oxoethyl)-1,1-dioxothietan-3-yl]-5-cyclopropyl-4-(2,2-difluoroethoxy)pyridine-2-carboxamide
Inchi KeyAAVHYKWHFWGNRD-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H19F2N3O5S/c17-13(18)6-26-12-3-11(20-5-10(12)9-1-2-9)15(23)21-16(4-14(19)22)7-27(24,25)8-16/h3,5,9,13H,1-2,4,6-8H2,(H2,19,22)(H,21,23)
PubChem CID90214988
ChEMBLCHEMBL3937055
IUPHARN/A
BindingDB240559
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC5010.1 nM, NoneBindingDB,ChEMBL

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