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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

NameNantradol
Molecular formulaC27H35NO4
IUPAC name[9-hydroxy-6-methyl-3-(5-phenylpentan-2-yloxy)-5,6,6a,7,8,9,10,10a-octahydrophenanthridin-1-yl] acetate
Molecular weight437.58
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.5
Synonyms6-Methyl-3-(1-methyl-4-phenylbutoxy)-5,6,6a,7,8,9,10,10a-octahydro-1,9-phenanthridinediol acetate
d-Nantradol
( -)-5,6,6abeta,7,8,9alpha,10,10aalpha-Octahydro-9beta-hydroxy-6beta-methyl-3-(1-methyl-4-phenylbutoxy)-1-phenanthridinyl acetat
AC1L32T9
Nantrodolum
[ Show all ]
Inchi KeyFFVXQGMUHIJQAO-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H35NO4/c1-17(8-7-11-20-9-5-4-6-10-20)31-22-15-25-27(26(16-22)32-19(3)29)24-14-21(30)12-13-23(24)18(2)28-25/h4-6,9-10,15-18,21,23-24,28,30H,7-8,11-14H2,1-3H3
PubChem CID107822
ChEMBLN/A
IUPHARN/A
BindingDB84888
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki8.24 nMPMID11259544BindingDB

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