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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

NameCHEMBL93614
Molecular formulaC22H29NO2
IUPAC name3-[(3R,4R)-1-(2-hydroxy-3-phenylpropyl)-3,4-dimethylpiperidin-4-yl]phenol
Molecular weight339.479
Hydrogen bond acceptor3
Hydrogen bond donor2
XlogP4.5
Synonyms3-[(3R,4R)-1-(2-Hydroxy-3-phenylpropyl)-3,4-dimethyl-4-piperidinyl]phenol
3-[1-(2-Hydroxy-3-phenyl-propyl)-3,4-dimethyl-piperidin-4-yl]-phenol
BDBM50045766
Inchi KeyAPTJADCVFISWLZ-QNGGVGCWSA-N
Inchi IDInChI=1S/C22H29NO2/c1-17-15-23(16-21(25)13-18-7-4-3-5-8-18)12-11-22(17,2)19-9-6-10-20(24)14-19/h3-10,14,17,21,24-25H,11-13,15-16H2,1-2H3/t17-,21?,22+/m0/s1
PubChem CID9997334
ChEMBLCHEMBL93614
IUPHARN/A
BindingDB50045766
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
AD503.7 mg kg-1PMID8410998ChEMBL

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