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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

Namespiropiperidine analogue, 11
Molecular formulaC28H31N3O
IUPAC name8-benzhydryl-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
Molecular weight425.576
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.4
Synonyms8-(diphenylmethyl)-3-ethyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CHEMBL474091
BDBM26890
Inchi KeyAJCMEBINTIHGEB-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H31N3O/c1-2-29-22-31(25-16-10-5-11-17-25)28(27(29)32)18-20-30(21-19-28)26(23-12-6-3-7-13-23)24-14-8-4-9-15-24/h3-17,26H,2,18-22H2,1H3
PubChem CID25190572
ChEMBLCHEMBL474091
IUPHARN/A
BindingDB26890
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki506.0 nMPMID19147350PDSP,BindingDB,ChEMBL

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