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GPCR

NameKappa-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRK1
SynonymKappa receptor
KOR-1
K-OR-1
OP2
KOPr
[ Show all ]
DiseaseUnspecified
Substance dependence
Pain
Opiate dependence
Obesity
[ Show all ]
Length380
Amino acid sequenceMDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProtP41145
Protein Data Bank6b73, 4djh
GPCR-HGmod modelP41145
3D structure modelThis structure is from PDB ID 6b73.
BioLiPBL0402243,BL0402245, BL0402244,BL0402246, BL0224693,BL0224694
Therapeutic Target DatabaseT60693
ChEMBLCHEMBL237
IUPHAR318
DrugBankBE0000632

Ligand

NameCHEMBL3262366
Molecular formulaC34H43NO4
IUPAC name(1S,2S,6R,14R,15R,16R)-5-(cyclopropylmethyl)-16-[(1S)-1-hydroxy-1-(4-propan-2-ylphenyl)ethyl]-15-methoxy-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-trien-11-ol
Molecular weight529.721
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP5.8
SynonymsSCHEMBL15908173
Inchi KeyAIFURXDRYQAVTE-MOCVAACVSA-N
Inchi IDInChI=1S/C34H43NO4/c1-20(2)22-7-10-24(11-8-22)31(3,37)26-18-32-13-14-34(26,38-4)30-33(32)15-16-35(19-21-5-6-21)27(32)17-23-9-12-25(36)29(39-30)28(23)33/h7-12,20-21,26-27,30,36-37H,5-6,13-19H2,1-4H3/t26-,27-,30-,31-,32-,33+,34-/m1/s1
PubChem CID90306839
ChEMBLCHEMBL3262366
IUPHARN/A
BindingDBN/A
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
Emax34.0 %PMID24761755ChEMBL

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