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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

NameCHEMBL3823054
Molecular formulaC33H51N9O5
IUPAC name(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-amino-3-(4-hydroxy-2,3,6-trimethylphenyl)propanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-phenylpropanoyl]amino]hexanamide
Molecular weight653.829
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP0.4
SynonymsBDBM50185755
Inchi KeyASZIDYXNKKAYAC-NFGXINMFSA-N
Inchi IDInChI=1S/C33H51N9O5/c1-19-16-28(43)21(3)20(2)23(19)18-24(35)30(45)41-26(13-9-15-39-33(37)38)31(46)42-27(17-22-10-5-4-6-11-22)32(47)40-25(29(36)44)12-7-8-14-34/h4-6,10-11,16,24-27,43H,7-9,12-15,17-18,34-35H2,1-3H3,(H2,36,44)(H,40,47)(H,41,45)(H,42,46)(H4,37,38,39)/t24-,25-,26+,27-/m0/s1
PubChem CID127050727
ChEMBLCHEMBL3823054
IUPHARN/A
BindingDB50185755
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki381.0 nMPMID27301366BindingDB,ChEMBL

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