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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

NameCHEMBL537701
Molecular formulaC20H28BrN3OS
IUPAC name2-(3-isothiocyanatophenyl)-N-methyl-N-[(1R,2R)-2-pyrrolidin-1-ylcyclohexyl]acetamide;hydrobromide
Molecular weight438.428
Hydrogen bond acceptor4
Hydrogen bond donor1
XlogPNone
SynonymsN/A
Inchi KeyDEKFHJMGOPKPKQ-STYNFMPRSA-N
Inchi IDInChI=1S/C20H27N3OS.BrH/c1-22(18-9-2-3-10-19(18)23-11-4-5-12-23)20(24)14-16-7-6-8-17(13-16)21-15-25;/h6-8,13,18-19H,2-5,9-12,14H2,1H3;1H/t18-,19-;/m1./s1
PubChem CID14632726
ChEMBLCHEMBL537701
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessPartition coefficient log P of this ligand is not available.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition93.6 %PMID2157008ChEMBL
Inhibition110.0 %PMID2157008ChEMBL

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