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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

NameBDBM81889
Molecular formulaC43H59N9O6
IUPAC name(1R,8R,11S,17R,20S)-11,20-dibenzyl-23-butan-2-yl-6-[(dimethylamino)methyl]-10-methyl-3,4,10,13,19,22,25,26-octazatetracyclo[23.4.0.03,8.013,17]nonacos-26-ene-2,9,12,18,21,24-hexone
Molecular weight798.002
Hydrogen bond acceptor9
Hydrogen bond donor3
XlogP3.1
SynonymsL-366,670
Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-5-[(dimethylamino)methyl]-L-Pyz-N-methyl-D-Phe-]
J440.775J
Inchi KeyIUFVFMBGWPJZJQ-PBIKBHKTSA-N
Inchi IDInChI=1S/C43H59N9O6/c1-6-28(2)37-43(58)51-34(19-13-21-44-51)42(57)52-36(25-31(26-45-52)27-48(3)4)40(55)49(5)35(24-30-17-11-8-12-18-30)41(56)50-22-14-20-33(50)39(54)46-32(38(53)47-37)23-29-15-9-7-10-16-29/h7-12,15-18,21,28,31-37,45H,6,13-14,19-20,22-27H2,1-5H3,(H,46,54)(H,47,53)/t28?,31?,32-,33+,34+,35-,36+,37?/m0/s1
PubChem CID91898391
ChEMBLN/A
IUPHARN/A
BindingDB81889
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki8.1 nMPMID1988661BindingDB

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