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GPCR

NameKappa-type opioid receptor
SpeciesRattus norvegicus (Rat)
GeneOprk1
SynonymK-OR-1
kappa receptor
KOP
KOPr
KOR-1
[ Show all ]
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMESPIQIFRGEPGPTCAPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAVLSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProtP34975
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3614
IUPHAR318
DrugBankN/A

Ligand

NameCHEMBL346163
Molecular formulaC16H23NO
IUPAC name3-[1-(cyclopropylmethyl)-3-methylpiperidin-3-yl]phenol
Molecular weight245.366
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50021324
3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-phenol
3-(1-Cyclopropylmethyl-3-methyl-piperidin-3-yl)-phenol:hydrochloricacid
Inchi KeyBFJGDYASFRFDRK-UHFFFAOYSA-N
Inchi IDInChI=1S/C16H23NO/c1-16(14-4-2-5-15(18)10-14)8-3-9-17(12-16)11-13-6-7-13/h2,4-5,10,13,18H,3,6-9,11-12H2,1H3
PubChem CID13615888
ChEMBLCHEMBL346163
IUPHARN/A
BindingDB50021324
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd83.0 nMPMID3007760BindingDB,ChEMBL
Kd122.0 nMPMID3007760BindingDB,ChEMBL

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