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GPCR

NameKappa-type opioid receptor
SpeciesMus musculus (Mouse)
GeneOprk1
SynonymMSL-1
KOR-1
KOPr
KOP
Kappa receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProtP33534
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4329
IUPHAR318
DrugBankN/A

Ligand

NameCHEMBL2437062
Molecular formulaC27H27N3O5
IUPAC name(E)-N-[(4R,4aR,7R,7aR,12bS)-9-methoxy-3-methyl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-yl]-3-(3-nitrophenyl)prop-2-enamide
Molecular weight473.529
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.1
SynonymsN/A
Inchi KeyBDSJWYGNIYCHQA-PWGNIBDOSA-N
Inchi IDInChI=1S/C27H27N3O5/c1-29-13-12-27-19-8-9-20(28-23(31)11-6-16-4-3-5-18(14-16)30(32)33)26(27)35-25-22(34-2)10-7-17(24(25)27)15-21(19)29/h3-11,14,19-21,26H,12-13,15H2,1-2H3,(H,28,31)/b11-6+/t19-,20+,21+,26-,27-/m0/s1
PubChem CID73351083
ChEMBLCHEMBL2437062
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<100.0 nMPMID24103580ChEMBL

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