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GPCR

NameKappa-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRK1
SynonymK-OR-1
KOPr
OP2
KOP
KOR-1
[ Show all ]
DiseaseObesity
Opiate dependence
Inflammatory bowel disease
Erythema
Diarrhea-predominant IBS
[ Show all ]
Length380
Amino acid sequenceMDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProtP41145
Protein Data Bank6b73, 4djh
GPCR-HGmod modelP41145
3D structure modelThis structure is from PDB ID 6b73.
BioLiPBL0402244,BL0402246, BL0224693,BL0224694, BL0402243,BL0402245
Therapeutic Target DatabaseT60693
ChEMBLCHEMBL237
IUPHAR318
DrugBankBE0000632

Ligand

NameCHEMBL3959095
Molecular formulaC32H47NO7
IUPAC name(1R,2R,6S,14S,15S,16S)-5-(cyclopropylmethyl)-11,15-dimethoxy-16-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-13-oxa-5-azahexacyclo[13.2.2.12,8.01,6.02,14.012,20]icosa-8(20),9,11-triene
Molecular weight557.728
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP3.4
SynonymsN/A
Inchi KeyAJOMQFBUCVXNGB-KUUCXNLBSA-N
Inchi IDInChI=1S/C32H47NO7/c1-34-12-13-37-14-15-38-16-17-39-21-24-19-30-8-9-32(24,36-3)29-31(30)10-11-33(20-22-4-5-22)26(30)18-23-6-7-25(35-2)28(40-29)27(23)31/h6-7,22,24,26,29H,4-5,8-21H2,1-3H3/t24-,26-,29-,30-,31+,32-/m0/s1
PubChem CID134154934
ChEMBLCHEMBL3959095
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
EC50663.54 nMNoneChEMBL
Ki37.04 nMNoneChEMBL

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