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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

NameCHEMBL330138
Molecular formulaC19H25NOS
IUPAC name3-[(3R,4R)-3,4-dimethyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]phenol
Molecular weight315.475
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP4.8
SynonymsBDBM50045762
ZINC13832999
3-[3,4-Dimethyl-1-(2-thiophen-2-yl-ethyl)-piperidin-4-yl]-phenol
3-[(3R,4R)-3,4-Dimethyl-1-[2-(2-thienyl)ethyl]-4-piperidinyl]phenol
Inchi KeyDGEXSDIRTDWGOA-HNAYVOBHSA-N
Inchi IDInChI=1S/C19H25NOS/c1-15-14-20(10-8-18-7-4-12-22-18)11-9-19(15,2)16-5-3-6-17(21)13-16/h3-7,12-13,15,21H,8-11,14H2,1-2H3/t15-,19+/m0/s1
PubChem CID10381008
ChEMBLCHEMBL330138
IUPHARN/A
BindingDB50045762
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
AD503.8 mg kg-1PMID8410998ChEMBL

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