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GPCR

NameCannabinoid receptor 1
SpeciesHomo sapiens (Human)
GeneCNR1
SynonymSKR6R
CB1
Central cannabinoid receptor
CB1R
Cann7
[ Show all ]
DiseaseType 2 diabetes
Schizophrenia
Psychotic disorders
Postherpetic neuralgia
Pain
[ Show all ]
Length472
Amino acid sequenceMKSILDGLADTTFRTITTDLLYVGSNDIQYEDIKGDMASKLGYFPQKFPLTSFRGSPFQEKMTAGDNPQLVPADQVNITEFYNKSLSSFKENEENIQCGENFMDIECFMVLNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFIDFHVFHRKDSRNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCLMWTIAIVIAVLPLLGWNCEKLQSVCSDIFPHIDETYLMFWIGVTSVLLLFIVYAYMYILWKAHSHAVRMIQRGTQKSIIIHTSEDGKVQVTRPDQARMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTVFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPSCEGTAQPLDNSMGDSDCLHKHANNAASVHRAAESCIKSTVKIAKVTMSVSTDTSAEAL
UniProtP21554
Protein Data Bank6n4b, 5xr8, 5u09, 5tgz, 5tjv, 5xra
GPCR-HGmod modelP21554
3D structure modelThis structure is from PDB ID 6n4b.
BioLiPBL0364157, BL0440253, BL0440254,BL0440255, BL0384681, BL0384680, BL0384679, BL0384684, BL0384683, BL0384682, BL0363267, BL0361446, BL0361447
Therapeutic Target DatabaseT76685
ChEMBLCHEMBL218
IUPHAR56
DrugBankBE0000061

Ligand

NameCHEMBL2153673
Molecular formulaC28H27Cl2N5O3S
IUPAC name(2S)-2-[[[5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-[(4-chlorophenyl)sulfonylamino]methylidene]amino]-2-cyclobutylacetamide
Molecular weight584.516
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.6
SynonymsBDBM50392285
Inchi KeyAAXPOBDAMCGNNF-JKGBFCRXSA-N
Inchi IDInChI=1S/C28H27Cl2N5O3S/c29-21-11-9-20(10-12-21)25-24(18-5-2-1-3-6-18)17-35(33-25)28(32-26(27(31)36)19-7-4-8-19)34-39(37,38)23-15-13-22(30)14-16-23/h1-3,5-6,9-16,19,24,26H,4,7-8,17H2,(H2,31,36)(H,32,34)/t24?,26-/m0/s1
PubChem CID71449530
ChEMBLCHEMBL2153673
IUPHARN/A
BindingDB50392285
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC508.3 nMPMID22959249BindingDB,ChEMBL

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