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GPCR

NameKappa-type opioid receptor
SpeciesMus musculus (Mouse)
GeneOprk1
SynonymMSL-1
KOR-1
KOPr
KOP
Kappa receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length380
Amino acid sequenceMESPIQIFRGDPGPTCSPSACLLPNSSSWFPNWAESDSNGSVGSEDQQLESAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSAVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLASSVGISAIVLGGTKVREDVDVIECSLQFPDDEYSWWDLFMKICVFVFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITKLVLVVVAVFIICWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPVLYAFLDENFKRCFRDFCFPIKMRMERQSTNRVRNTVQDPASMRDVGGMNKPV
UniProtP33534
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4329
IUPHAR318
DrugBankN/A

Ligand

NameCHEMBL148588
Molecular formulaC28H39N9O6
IUPAC name(2S)-2-[[(2S)-2-[[(2S)-5-(diaminomethylideneamino)-2-[[(2S)-2-(diaminomethylideneamino)-3-(3-hydroxyphenyl)propanoyl]amino]pentanoyl]amino]-3-phenylpropanoyl]amino]propanoic acid
Molecular weight597.677
Hydrogen bond acceptor8
Hydrogen bond donor9
XlogP-0.3
Synonyms2-(2-{5-Guanidino-2-[2-guanidino-3-(3-hydroxy-phenyl)-propionylamino]-pentanoylamino}-3-phenyl-propionylamino)-propionic acid
BDBM50120875
Inchi KeyDVUKUEIZDQXDFH-KPQYALRZSA-N
Inchi IDInChI=1S/C28H39N9O6/c1-16(26(42)43)34-24(40)21(14-17-7-3-2-4-8-17)36-23(39)20(11-6-12-33-27(29)30)35-25(41)22(37-28(31)32)15-18-9-5-10-19(38)13-18/h2-5,7-10,13,16,20-22,38H,6,11-12,14-15H2,1H3,(H,34,40)(H,35,41)(H,36,39)(H,42,43)(H4,29,30,33)(H4,31,32,37)/t16-,20-,21-,22-/m0/s1
PubChem CID44365001
ChEMBLCHEMBL148588
IUPHARN/A
BindingDB50120875
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
IC50<1000.0 nMPMID12408719BindingDB,ChEMBL

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