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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

NameCHEMBL3911641
Molecular formulaC15H21ClN2O3
IUPAC name5-chloro-4-(cyclopropylmethoxy)-N-(1-hydroxy-2-methylbutan-2-yl)pyridine-2-carboxamide
Molecular weight312.794
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.3
SynonymsUS9409866, 26
ADHFKNOBBGUGEH-UHFFFAOYSA-N
BDBM240311
SCHEMBL15776684
5-Chloro-4-cyclopropylmethoxy-pyridine-2-carboxylic acid (1-hydroxymethyl-1-methyl-propyl)-amide
Inchi KeyADHFKNOBBGUGEH-UHFFFAOYSA-N
Inchi IDInChI=1S/C15H21ClN2O3/c1-3-15(2,9-19)18-14(20)12-6-13(11(16)7-17-12)21-8-10-4-5-10/h6-7,10,19H,3-5,8-9H2,1-2H3,(H,18,20)
PubChem CID76283214
ChEMBLCHEMBL3911641
IUPHARN/A
BindingDB240311
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
EC50<10000.0 nM, NoneBindingDB,ChEMBL

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