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GPCR

NameOxytocin receptor
SpeciesRattus norvegicus (Rat)
GeneOxtr
SynonymOT receptor
OT-R
OTR
DiseaseN/A for non-human GPCRs
Length388
Amino acid sequenceMEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA
UniProtP70536
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3996
IUPHAR369
DrugBankN/A

Ligand

NameCHEMBL2372955
Molecular formulaC40H54N8O6
IUPAC name(1R,8S,11R,17S,20R,23S)-11,20-dibenzyl-23-[(2S)-butan-2-yl]-10-methyl-3,5,10,13,19,22,25,27-octazatetracyclo[23.4.0.03,8.013,17]nonacosane-2,9,12,18,21,24-hexone
Molecular weight742.922
Hydrogen bond acceptor8
Hydrogen bond donor4
XlogP2.7
SynonymsBDBM50013629
16,24-dibenzyl-25-methyl-13-[1-methyl-(1S)-propyl]-(6aR,16R,18aS,24R,26aS)-perhydrodipyrimido[1,6-a:1,6-d]pyrrolo[1,2-j][1,4,7,10,13,16]hexaazacyclooctadecine-6,12,15,18,23,26-hexaone(L-365209)
Inchi KeyDBMYCJISHONVOX-NSTWBPGMSA-N
Inchi IDInChI=1S/C40H54N8O6/c1-4-26(2)34-40(54)48-25-42-20-18-32(48)38(52)47-24-41-19-17-31(47)37(51)45(3)33(23-28-14-9-6-10-15-28)39(53)46-21-11-16-30(46)36(50)43-29(35(49)44-34)22-27-12-7-5-8-13-27/h5-10,12-15,26,29-34,41-42H,4,11,16-25H2,1-3H3,(H,43,50)(H,44,49)/t26-,29+,30-,31-,32+,33+,34-/m0/s1
PubChem CID73351828
ChEMBLN/A
IUPHARN/A
BindingDB50013629
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7.3 nMPMID2163451BindingDB

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