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GPCR

NameKappa-type opioid receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRK1
SynonymK-OR-1
KOR-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

NameCHEMBL60714
Molecular formulaC29H30N2O3
IUPAC name(2S,9R)-18-(cyclopropylmethyl)-6-methyl-5-phenyl-10-oxa-7,18-diazahexacyclo[9.9.1.01,9.02,17.04,8.015,21]henicosa-4(8),5,11,13,15(21)-pentaene-2,12-diol
Molecular weight454.57
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP4.0
SynonymsN/A
Inchi KeyAMYXFPWDUQANPV-QMIJBIIGSA-N
Inchi IDInChI=1S/C29H30N2O3/c1-16-23(18-5-3-2-4-6-18)20-14-29(33)22-13-19-9-10-21(32)26-24(19)28(29,27(34-26)25(20)30-16)11-12-31(22)15-17-7-8-17/h2-6,9-10,17,22,27,30,32-33H,7-8,11-15H2,1H3/t22?,27-,28?,29+/m0/s1
PubChem CID44302619
ChEMBLCHEMBL60714
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50 ratio0.98 -PMID9207938ChEMBL

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