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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

NameSCHEMBL10316471
Molecular formulaC35H53N11O4
IUPAC name(2R)-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-N-[(2R)-1-(4-carbamimidoyl-1,4-diazepan-1-yl)-4-(diaminomethylideneamino)-1-oxobutan-2-yl]-4-methylpentanamide
Molecular weight691.882
Hydrogen bond acceptor7
Hydrogen bond donor8
XlogP0.5
SynonymsBDBM235788
US9359399, 23
Inchi KeyAXFXBIRQMYQRIW-CXDXLJMYSA-N
Inchi IDInChI=1S/C35H53N11O4/c1-23(2)20-28(31(48)42-27(14-15-41-34(37)38)33(50)45-16-9-17-46(19-18-45)35(39)40)44-32(49)29(22-25-12-7-4-8-13-25)43-30(47)26(36)21-24-10-5-3-6-11-24/h3-8,10-13,23,26-29H,9,14-22,36H2,1-2H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)(H4,37,38,41)/t26-,27-,28-,29-/m1/s1
PubChem CID53379410
ChEMBLN/A
IUPHARN/A
BindingDB235788
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
EC500.091 nMN/ABindingDB

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