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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

NameCHEMBL22650
Molecular formulaC26H35N3O
IUPAC nameN,N-diethyl-4-(N-[(3S,4R)-3-methyl-1-prop-2-enylpiperidin-4-yl]anilino)benzamide
Molecular weight405.586
Hydrogen bond acceptor3
Hydrogen bond donor0
XlogP5.5
SynonymsRTI-15989-54
4-[(1-Allyl-3-methyl-piperidin-4-yl)-phenyl-amino]-N,N-diethyl-benzamide
4-(((3S,4R)-1-allyl-3-methylpiperidin-4-yl)(phenyl)amino)-N,N-diethylbenzamide
RTI-5989-54
4-[((3S,4R)-1-Allyl-3-methyl-piperidin-4-yl)-phenyl-amino]-N,N-diethyl-benzamide
[ Show all ]
Inchi KeyDZIVFTSZIVQCKX-SQJMNOBHSA-N
Inchi IDInChI=1S/C26H35N3O/c1-5-18-27-19-17-25(21(4)20-27)29(23-11-9-8-10-12-23)24-15-13-22(14-16-24)26(30)28(6-2)7-3/h5,8-16,21,25H,1,6-7,17-20H2,2-4H3/t21-,25+/m0/s1
PubChem CID10431414
ChEMBLCHEMBL22650
IUPHARN/A
BindingDB50083637
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3722.0 nMPMID10612597BindingDB,ChEMBL

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