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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

NameCHEMBL1093341
Molecular formulaC18H18N2O4
IUPAC nameN-ethyl-5-methoxy-N-(6-methoxypyridin-3-yl)-1-benzofuran-2-carboxamide
Molecular weight326.352
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50314520
N-ethyl-5-methoxy-N-(6-methoxypyridin-3-yl)benzofuran-2-carboxamide
Inchi KeyATBXVWAUNHCVGT-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18N2O4/c1-4-20(13-5-8-17(23-3)19-11-13)18(21)16-10-12-9-14(22-2)6-7-15(12)24-16/h5-11H,4H2,1-3H3
PubChem CID46883885
ChEMBLCHEMBL1093341
IUPHARN/A
BindingDB50314520
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki85.0 nMPMID20189387BindingDB,ChEMBL

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