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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

NameSCHEMBL10316441
Molecular formulaC34H51N9O4
IUPAC name(2R)-N-[(2R)-4-amino-1-(4-carbamimidoyl-1,4-diazepan-1-yl)-1-oxobutan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
Molecular weight649.841
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP1.1
SynonymsBDBM235809
US9359399, 22
Inchi KeyFJZYPXQIWZSVAU-CXDXLJMYSA-N
Inchi IDInChI=1S/C34H51N9O4/c1-23(2)20-28(31(45)39-27(14-15-35)33(47)42-16-9-17-43(19-18-42)34(37)38)41-32(46)29(22-25-12-7-4-8-13-25)40-30(44)26(36)21-24-10-5-3-6-11-24/h3-8,10-13,23,26-29H,9,14-22,35-36H2,1-2H3,(H3,37,38)(H,39,45)(H,40,44)(H,41,46)/t26-,27-,28-,29-/m1/s1
PubChem CID53380954
ChEMBLN/A
IUPHARN/A
BindingDB235809
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
EC500.095 nMN/ABindingDB

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