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GPCR

NameCannabinoid receptor 1
SpeciesTaeniopygia guttata (Zebra finch)
GeneCNR1
SynonymCB-R
CB1
DiseaseN/A for non-human GPCRs
Length473
Amino acid sequenceMKSILDGLADTTFRTITTDLLYVGSNDIQYEDMKGDMASKLGYYPQKFPLSSFRGDPFQEKMTGGDDSLLSIIPSEQVNITEFYNKSLSTFKDNEENIQCGENFMDMECFMILNPSQQLAIAVLSLTLGTFTVLENLLVLCVILHSRSLRCRPSYHFIGSLAVADLLGSVIFVYSFVDFHVFHRKDSPNVFLFKLGGVTASFTASVGSLFLTAIDRYISIHRPLAYKRIVTRPKAVVAFCVMWTIAIVIAVLPLLGWNCKKLNSVCSDIFPLIDETYLMFWIGVTSILLLFIVYAYMYILWKAHSHAVRMLQRGTQKSIIIQSTEDGKVQITRPDQTRMDIRLAKTLVLILVVLIICWGPLLAIMVYDVFGKMNKLIKTIFAFCSMLCLLNSTVNPIIYALRSKDLRHAFRSMFPTCEGTAQPLDNSMESDCQHKHANNAGNVHRAAESCIKSTVKIAKVTMSVSTDTTAEAL
UniProtP56971
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL432107
Molecular formulaC25H38O3
IUPAC name(6aR)-9-(hydroxymethyl)-6,6-dimethyl-3-(2-methyloctan-2-yl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol
Molecular weight386.576
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP6.4
Synonyms(R)-3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
3-(1,1-Dimethyl-heptyl)-9-hydroxymethyl-6,6-dimethyl-6a,7,10,10a-tetrahydro-6H-benzo[c]chromen-1-ol
BDBM50000727
SCHEMBL1517462
3-(1,1-Dimethylheptyl)-6,6-dimethyl-9-hydroxymethyl-6abeta,7,10,10a-tetrahydro-6H-dibenzo[b,d]pyran-1-ol
Inchi KeySSQJFGMEZBFMNV-GFOWMXPYSA-N
Inchi IDInChI=1S/C25H38O3/c1-6-7-8-9-12-24(2,3)18-14-21(27)23-19-13-17(16-26)10-11-20(19)25(4,5)28-22(23)15-18/h10,14-15,19-20,26-27H,6-9,11-13,16H2,1-5H3/t19?,20-/m1/s1
PubChem CID15614389
ChEMBLCHEMBL432107
IUPHARN/A
BindingDB50000727
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki2.32 nMPMID11259544BindingDB

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