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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

NameCHEMBL1093709
Molecular formulaC21H21N3O4
IUPAC nameN-ethyl-6-(4-methoxyphenyl)-N-(6-methoxypyridin-3-yl)-2-oxo-1H-pyridine-3-carboxamide
Molecular weight379.416
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP2.6
SynonymsBDBM50314524
N-ethyl-6-(4-methoxyphenyl)-N-(6-methoxypyridin-3-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
Inchi KeyAYGBCOPDQGTTDR-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H21N3O4/c1-4-24(15-7-12-19(28-3)22-13-15)21(26)17-10-11-18(23-20(17)25)14-5-8-16(27-2)9-6-14/h5-13H,4H2,1-3H3,(H,23,25)
PubChem CID46883925
ChEMBLCHEMBL1093709
IUPHARN/A
BindingDB50314524
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki84.0 nMPMID20189387BindingDB,ChEMBL

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