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GPCR

NameOxytocin receptor
SpeciesMacaca mulatta (Rhesus macaque)
GeneOXTR
SynonymOT-R
DiseaseN/A for non-human GPCRs
Length389
Amino acid sequenceMEGELAANWSTEAVNSSAAPPGAEGNCTAGPPRRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRMALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGNRLGETSTSKKSNSSSFVLSHRSSSQRSCSQPSTA
UniProtP56494
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

NameBDBM81895
Molecular formulaC40H50N8O6
IUPAC name(1R,8S,11S,17R,20S)-11,20-dibenzyl-23-butan-2-yl-10-methyl-3,4,10,13,19,22,25,26-octazatetracyclo[23.4.0.03,8.013,17]nonacosa-4,26-diene-2,9,12,18,21,24-hexone
Molecular weight738.89
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP2.8
SynonymsCyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-1,6-didehydro-L-Pyz-N-methyl-L-Phe-]
J325.338D
Inchi KeyIFHSSGUGRIXWQU-HGWQXCOYSA-N
Inchi IDInChI=1S/C40H50N8O6/c1-4-26(2)34-40(54)48-32(19-12-22-42-48)39(53)47-31(18-11-21-41-47)37(51)45(3)33(25-28-16-9-6-10-17-28)38(52)46-23-13-20-30(46)36(50)43-29(35(49)44-34)24-27-14-7-5-8-15-27/h5-10,14-17,21-22,26,29-34H,4,11-13,18-20,23-25H2,1-3H3,(H,43,50)(H,44,49)/t26?,29-,30+,31-,32+,33-,34?/m0/s1
PubChem CID91898393
ChEMBLN/A
IUPHARN/A
BindingDB81895
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki12.0 nMPMID1988661BindingDB

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