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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

NameCHEMBL3759981
Molecular formulaC43H51N7O7
IUPAC name(2R,5S,8S,16R)-16-[[(2S)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoyl]amino]-5-benzyl-2-(naphthalen-2-ylmethyl)-3,6,10,17-tetraoxo-1,4,7,11-tetrazacycloheptadecane-8-carboxamide
Molecular weight777.923
Hydrogen bond acceptor8
Hydrogen bond donor8
XlogP3.4
SynonymsBDBM50143181
Inchi KeyADGBJGBZINGZOT-DUQWPARQSA-N
Inchi IDInChI=1S/C43H51N7O7/c1-25-18-31(51)19-26(2)32(25)23-33(44)40(54)47-34-14-8-9-17-46-38(52)24-35(39(45)53)48-42(56)36(21-27-10-4-3-5-11-27)50-43(57)37(49-41(34)55)22-28-15-16-29-12-6-7-13-30(29)20-28/h3-7,10-13,15-16,18-20,33-37,51H,8-9,14,17,21-24,44H2,1-2H3,(H2,45,53)(H,46,52)(H,47,54)(H,48,56)(H,49,55)(H,50,57)/t33-,34+,35-,36-,37+/m0/s1
PubChem CID127026455
ChEMBLCHEMBL3759981
IUPHARN/A
BindingDB50143181
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
Ki750.7 nMPMID26785295ChEMBL
Ki751.0 nMPMID26785295BindingDB

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