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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

NameCHEMBL563771
Molecular formulaC20H17FN6O2
IUPAC name2-(4-fluoro-2-methylphenoxy)-5-[4-(6-methoxypyridin-3-yl)-5-methyl-1,2,4-triazol-3-yl]pyrazine
Molecular weight392.394
Hydrogen bond acceptor8
Hydrogen bond donor0
XlogP2.6
SynonymsBDBM50295777
2-(4-fluoro-2-methylphenoxy)-5-(4-(6-methoxypyridin-3-yl)-5-methyl-4H-1,2,4-triazol-3-yl)pyrazine
Inchi KeyBDHILEZTYXNNPL-UHFFFAOYSA-N
Inchi IDInChI=1S/C20H17FN6O2/c1-12-8-14(21)4-6-17(12)29-19-11-22-16(10-24-19)20-26-25-13(2)27(20)15-5-7-18(28-3)23-9-15/h4-11H,1-3H3
PubChem CID45273367
ChEMBLCHEMBL563771
IUPHARN/A
BindingDB50295777
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki9.4 nMPMID19376698BindingDB,ChEMBL

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