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GPCR

NameOxytocin receptor
SpeciesHomo sapiens (Human)
GeneOXTR
SynonymOTR
OT-R
OT receptor
DiseaseThreatened pre-term labour
Postpartum haemorrhage
Premature ejaculation
Miscarriage
Female sexual dysfunction
[ Show all ]
Length389
Amino acid sequenceMEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACVLLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGETSASKKSNSSSFVLSHRSSSQRSCSQPSTA
UniProtP30559
Protein Data BankN/A
GPCR-HGmod modelP30559
3D structure modelThis predicted structure model is from GPCR-EXP P30559.
BioLiPN/A
Therapeutic Target DatabaseT84486
ChEMBLCHEMBL2049
IUPHAR369
DrugBankBE0000844

Ligand

NameCHEMBL319646
Molecular formulaC28H28N2O5
IUPAC name1-[1-(2-methoxy-4-phenylmethoxybenzoyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight472.541
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50072362
SCHEMBL7481188
1-[1-(4-Benzyloxy-2-methoxy-benzoyl)-piperidin-4-yl]-1,4-dihydro-benzo[d][1,3]oxazin-2-one
Inchi KeyBOJYCDRNXGUATP-UHFFFAOYSA-N
Inchi IDInChI=1S/C28H28N2O5/c1-33-26-17-23(34-18-20-7-3-2-4-8-20)11-12-24(26)27(31)29-15-13-22(14-16-29)30-25-10-6-5-9-21(25)19-35-28(30)32/h2-12,17,22H,13-16,18-19H2,1H3
PubChem CID44334990
ChEMBLCHEMBL319646
IUPHARN/A
BindingDB50072362
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki73.0 nMPMID9873680BindingDB,ChEMBL

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