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GPCR

NameNociceptin receptor
SpeciesCavia porcellus (Guinea pig)
GeneOPRL1
SynonymKappa-type 3 opioid receptor
KOR-3
Orphanin FQ receptor
XOR
DiseaseN/A for non-human GPCRs
Length370
Amino acid sequenceMESLFPAPFWEVLYGSHLQGNLSLLSPNHSGLPPHLLLNASHSAFLPLGLKVTIVGLYLAVCIGGLLGNCLVMYVILRHTKMKTATNIYIFNLALADTLVLLTLPFQATDILLGFWPFGNTLCKTVIAIDYYNMFTSTFTLTAMSVDRYVAICHPIRALDVRTSSKAQAVNVAIWALALVVGVPVAIMGSAQVEDEEIECLVEIPDPQDYWGPVFAVSIFLFSFIIPVLIISVCYSLMIRRLHGVRLLSGSREKDRNLRRITRLVLVVVAVFVGCWTPVQVFVLVQGLGVQPGSETTVAILRFCTALGYVNSCLNPILYAFLDENFKACFRKFCCASALHREMQVSDRVRSIAKDVALGCKTTETVPRPA
UniProtP47748
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL5492
IUPHARN/A
DrugBankN/A

Ligand

NameDM3A6S
Molecular formulaC19H23NO7S
IUPAC name[(4R,4aR,7S,7aR,12bS)-3-methyl-7-sulfooxy-2,4,4a,5,6,7,7a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] acetate
Molecular weight409.453
Hydrogen bond acceptor8
Hydrogen bond donor1
XlogP-0.7
SynonymsCHEMBL437682
SCHEMBL7668900
D07UJV
Inchi KeyYATYBWXTHXFYJT-SSTWWWIQSA-N
Inchi IDInChI=1S/C19H23NO7S/c1-10(21)25-14-5-3-11-9-13-12-4-6-15(27-28(22,23)24)18-19(12,7-8-20(13)2)16(11)17(14)26-18/h3,5,12-13,15,18H,4,6-9H2,1-2H3,(H,22,23,24)/t12-,13+,15-,18-,19-/m0/s1
PubChem CID12114743
ChEMBLCHEMBL437682
IUPHARN/A
BindingDB50189246
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki838.0 nMPMID16777416BindingDB,ChEMBL

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