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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

NameBDBM81892
Molecular formulaC35H44N6O5
IUPAC name(1R,10R,13S)-4,13-dibenzyl-16-butan-2-yl-3-methyl-3,6,12,15,18,19-hexazatricyclo[16.4.0.06,10]docos-19-ene-2,5,11,14,17-pentone
Molecular weight628.774
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP3.4
SynonymsL-366,706
Cyclo[L-Pro-D-Phe-L-Ile-1,6-didehydro-D-Pyz-N-methyl-D-Phe-]
J440.774A
Inchi KeyOTWWUHFSTJTPLY-BGXORGPJSA-N
Inchi IDInChI=1S/C35H44N6O5/c1-4-23(2)30-35(46)41-28(17-11-19-36-41)33(44)39(3)29(22-25-15-9-6-10-16-25)34(45)40-20-12-18-27(40)32(43)37-26(31(42)38-30)21-24-13-7-5-8-14-24/h5-10,13-16,19,23,26-30H,4,11-12,17-18,20-22H2,1-3H3,(H,37,43)(H,38,42)/t23?,26-,27+,28+,29?,30?/m0/s1
PubChem CID91898392
ChEMBLN/A
IUPHARN/A
BindingDB81892
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki33.0 nMPMID1988661BindingDB

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