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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

NameCHEMBL306010
Molecular formulaC35H42N4O6
IUPAC name1-[1-[2-methoxy-4-[1-[(2,4,6-trimethyl-1-oxidopyridin-1-ium-3-yl)methyl]piperidin-4-yl]oxybenzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight614.743
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.1
SynonymsBDBM50064726
1-(1-{2-Methoxy-4-[1-(2,4,6-trimethyl-1-oxy-pyridin-3-ylmethyl)-piperidin-4-yloxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
Inchi KeyCYYWEDCKAVRNEW-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H42N4O6/c1-23-19-24(2)39(42)25(3)31(23)21-36-15-13-28(14-16-36)45-29-9-10-30(33(20-29)43-4)34(40)37-17-11-27(12-18-37)38-32-8-6-5-7-26(32)22-44-35(38)41/h5-10,19-20,27-28H,11-18,21-22H2,1-4H3
PubChem CID10651439
ChEMBLCHEMBL306010
IUPHARN/A
BindingDB50064726
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki12.0 nMPMID9622556BindingDB,ChEMBL

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