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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

NameAC1MHY5M
Molecular formulaC26H26N2O3
IUPAC name(21S)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.01,13.02,21.04,12.05,10.019,25]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
Molecular weight414.505
Hydrogen bond acceptor4
Hydrogen bond donor3
XlogP3.3
Synonyms(21R)-22-(cyclopropylmethyl)-14-oxa-11,22-diazaheptacyclo[13.9.1.0^{1,13}.0^{2,21}.0^{4,12}.0^{5,10}.0^{19,25}]pentacosa-4(12),5,7,9,15,17,19(25)-heptaene-2,16-diol
(8R)-7-(cyclopropylmethyl)-5,6,7,8,14,14b-hexahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazole-1,8a(9H)-diol
BDBM21864
Inchi KeyWIYUZYBFCWCCQJ-XEWUMVRVSA-N
Inchi IDInChI=1S/C26H26N2O3/c29-19-8-7-15-11-20-26(30)12-17-16-3-1-2-4-18(16)27-22(17)24-25(26,21(15)23(19)31-24)9-10-28(20)13-14-5-6-14/h1-4,7-8,14,20,24,27,29-30H,5-6,9-13H2/t20-,24?,25?,26?/m0/s1
PubChem CID3034754
ChEMBLN/A
IUPHARN/A
BindingDB21864
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50100.0 nMPMID1335078BindingDB
IC502000.0 nMPMID8021929BindingDB
Ki6.0 nMPMID12565965BindingDB
Ki7.44 nMPMID18637671BindingDB
Ki7.8 nMPMID9686407BindingDB
Ki8.8 nMPMID14998329BindingDB
Ki8.9 nMPMID12431065, PMID10229636, PMID10617086BindingDB
Ki9.04 nMPMID22967810BindingDB
Ki10.0 nMPMID12930147BindingDB
Ki14.0 nMPMID11294396, PMID22197670, PMID8126697, PMID19362480BindingDB
Ki14.9 nMPMID17402725BindingDB
Ki16.0 nMPMID12431065BindingDB
Ki20.0 nMPMID9667975BindingDB
Ki30.0 nMPMID9871544, PMID10229636, PMID10617086BindingDB
Ki30.4 nMPMID18637671BindingDB
Ki34.0 nMPMID9667975BindingDB
Ki36.0 nMPMID12565965, PMID10479286BindingDB
Ki75.0 nMPMID14998329BindingDB
Ki332.0 nMPMID7853332, PMID8021929, PMID2160538, PMID1333013, PMID1648136BindingDB

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