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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

NameCHEMBL1790550
Molecular formulaC40H52N8O5
IUPAC name(1R,8S,11R,17S,20R,23S)-11,20-dibenzyl-23-[(2R)-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-2,9,12,18,24-pentone
Molecular weight724.907
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP3.0
SynonymsBDBM50368137
Inchi KeyAZZIEIBZYVOPLB-MNTMQBIHSA-N
Inchi IDInChI=1S/C40H52N8O5/c1-4-27(2)35-40(53)48-33(19-12-22-43-48)39(52)47-32(18-11-21-42-47)37(50)45(3)34(25-29-16-9-6-10-17-29)38(51)46-23-13-20-31(46)36(49)44-30(26-41-35)24-28-14-7-5-8-15-28/h5-10,14-17,21-22,27,30-35,41H,4,11-13,18-20,23-26H2,1-3H3,(H,44,49)/t27-,30-,31+,32+,33-,34-,35+/m1/s1
PubChem CID56679085
ChEMBLCHEMBL1790550
IUPHARN/A
BindingDB50368137
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<30000.0 nMPMID2167976BindingDB,ChEMBL

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