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GPCR

NameCannabinoid receptor 1
SpeciesHomo sapiens (Human)
GeneCNR1
SynonymCB1
Central cannabinoid receptor
SKR6R
THC receptor
CB1R
[ Show all ]
DiseaseObesity; Diabetes
Chemotherapy-induced nausea
Diabetes; Obesity
Drug abuse
Hypertension; Diabetes; Obesity
[ Show all ]
Length472
Amino acid sequenceMKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProtP21554
Protein Data Bank5tjv, 5u09, 5xr8, 5xra, 6n4b, 5tgz
GPCR-HGmod modelP21554
3D structure modelThis structure is from PDB ID 5tjv.
BioLiPBL0384680, BL0364157, BL0384679, BL0384681, BL0384682, BL0384683, BL0384684, BL0440253, BL0440254,BL0440255, BL0363267, BL0361447, BL0361446
Therapeutic Target DatabaseT76685
ChEMBLCHEMBL218
IUPHAR56
DrugBankBE0000061

Ligand

NameCHEMBL15779
Molecular formulaC19H16Cl3N3O2
IUPAC name5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-N-(2-hydroxyethyl)-4-methylpyrazole-3-carboxamide
Molecular weight424.706
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.7
SynonymsBDBM50114686
5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-methyl-1H-pyrazole-3-carboxylic acid (2-hydroxy-ethyl)-amide
Inchi KeyALGPHUCTXNRLQM-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H16Cl3N3O2/c1-11-17(19(27)23-8-9-26)24-25(16-7-6-14(21)10-15(16)22)18(11)12-2-4-13(20)5-3-12/h2-7,10,26H,8-9H2,1H3,(H,23,27)
PubChem CID11037300
ChEMBLCHEMBL15779
IUPHARN/A
BindingDB50114686
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition69.0 %PMID14980654ChEMBL

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