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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

NameCHEMBL1797518
Molecular formulaC63H72N4O9
IUPAC nameNone
Molecular weight1029.29
Hydrogen bond acceptor13
Hydrogen bond donor3
XlogP8.2
SynonymsBDBM50347164
Inchi KeyAKRUZRBHEYKLPW-PTFQVOMSSA-N
Inchi IDInChI=1S/C63H72N4O9/c68-43-10-7-34-25-40-37-13-16-61(52-58(37,46(34)49(43)71-52)19-22-64(40)28-31-1-2-31)55-67-56(74-61)62(17-14-38-41-26-35-8-11-44(69)50-47(35)59(38,53(62)72-50)20-23-65(41)29-32-3-4-32)76-57(67)63(75-55)18-15-39-42-27-36-9-12-45(70)51-48(36)60(39,54(63)73-51)21-24-66(42)30-33-5-6-33/h7-12,31-33,37-42,52-57,68-70H,1-6,13-30H2/t37-,38-,39-,40+,41+,42+,52+,53+,54+,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1
PubChem CID56683403
ChEMBLCHEMBL1797518
IUPHARN/A
BindingDB50347164
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki43.2 nMPMID21641219BindingDB,ChEMBL

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