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GPCR

NameKappa-type opioid receptor
SpeciesHomo sapiens (Human)
GeneOPRK1
SynonymKappa receptor
KOR-1
K-OR-1
OP2
KOPr
[ Show all ]
DiseaseUnspecified
Substance dependence
Pain
Opiate dependence
Obesity
[ Show all ]
Length380
Amino acid sequenceMDSPIQIFRGEPGPTCAPSACLPPNSSAWFPGWAEPDSNGSAGSEDAQLEPAHISPAIPVIITAVYSVVFVVGLVGNSLVMFVIIRYTKMKTATNIYIFNLALADALVTTTMPFQSTVYLMNSWPFGDVLCKIVISIDYYNMFTSIFTLTMMSVDRYIAVCHPVKALDFRTPLKAKIINICIWLLSSSVGISAIVLGGTKVREDVDVIECSLQFPDDDYSWWDLFMKICVFIFAFVIPVLIIIVCYTLMILRLKSVRLLSGSREKDRNLRRITRLVLVVVAVFVVCWTPIHIFILVEALGSTSHSTAALSSYYFCIALGYTNSSLNPILYAFLDENFKRCFRDFCFPLKMRMERQSTSRVRNTVQDPAYLRDIDGMNKPV
UniProtP41145
Protein Data Bank6b73, 4djh
GPCR-HGmod modelP41145
3D structure modelThis structure is from PDB ID 6b73.
BioLiPBL0402243,BL0402245, BL0402244,BL0402246, BL0224693,BL0224694
Therapeutic Target DatabaseT60693
ChEMBLCHEMBL237
IUPHAR318
DrugBankBE0000632

Ligand

NameSCHEMBL14466685
Molecular formulaC27H30N4O4
IUPAC name(1R,9R,10S)-N-[2-(1H-benzimidazol-2-yl)ethyl]-3,10-dihydroxy-17-methyl-13-oxo-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-triene-4-carboxamide
Molecular weight474.561
Hydrogen bond acceptor6
Hydrogen bond donor4
XlogP2.3
SynonymsBDBM148979
US8962646, 1
Inchi KeyAHVXNGYBEDTABI-SACAOSOOSA-N
Inchi IDInChI=1S/C27H30N4O4/c1-31-13-11-26-15-17(32)8-10-27(26,35)21(31)14-16-6-7-18(24(33)23(16)26)25(34)28-12-9-22-29-19-4-2-3-5-20(19)30-22/h2-7,21,33,35H,8-15H2,1H3,(H,28,34)(H,29,30)/t21-,26-,27-/m1/s1
PubChem CID71499220
ChEMBLN/A
IUPHARN/A
BindingDB148979
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki850.0 nMN/ABindingDB

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