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GPCR

NameKappa-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRK1
SynonymKOR-1
K-OR-1
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMGRRRQGPAQPASELPARNACLLPNGSAWLPGWAEPDGNGSAGPQDEQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIILGGTKVREDVDIIECSLQFPDDDYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPIKMRMERQSTSRVRNTVQDPAYMRNVDGVNKPV
UniProtP41144
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3952
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL442709
Molecular formulaC21H21NO2S
IUPAC name(4R,4aR,7S,7aR,12bS)-3-methyl-9-thiophen-3-yl-2,4,4a,7,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ol
Molecular weight351.464
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogP2.4
Synonyms4-methyl-10-(3-thienyl)-(1S,5R,13R,14S,17R)-12-oxa-4-azapentacyclo[9.6.1.01,13.05,17.07,18]octadeca-7(18),8,10,15-tetraen-14-ol
BDBM50283519
Inchi KeyAQBOBFADHSBHCU-ZCZMFWIKSA-N
Inchi IDInChI=1S/C21H21NO2S/c1-22-8-7-21-15-4-5-17(23)20(21)24-19-14(13-6-9-25-11-13)3-2-12(18(19)21)10-16(15)22/h2-6,9,11,15-17,20,23H,7-8,10H2,1H3/t15-,16+,17-,20-,21-/m0/s1
PubChem CID44319000
ChEMBLCHEMBL442709
IUPHARN/A
BindingDB50283519
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5015000.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:21:2527BindingDB,ChEMBL

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