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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

NameCHEMBL105514
Molecular formulaC28H28FN3O6
IUPAC name1-[1-[5-fluoro-2-methoxy-4-[(1R)-1-(1-oxidopyridin-1-ium-4-yl)ethoxy]benzoyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight521.545
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP2.8
Synonyms1-(1-{5-Fluoro-2-methoxy-4-[(R)-1-(1-oxy-pyridin-4-yl)-ethoxy]-benzoyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
BDBM50072365
Inchi KeyCDEVBWPFXJVAJS-GOSISDBHSA-N
Inchi IDInChI=1S/C28H28FN3O6/c1-18(19-7-13-31(35)14-8-19)38-26-16-25(36-2)22(15-23(26)29)27(33)30-11-9-21(10-12-30)32-24-6-4-3-5-20(24)17-37-28(32)34/h3-8,13-16,18,21H,9-12,17H2,1-2H3/t18-/m1/s1
PubChem CID11756466
ChEMBLCHEMBL105514
IUPHARN/A
BindingDB50072365
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki7.3 nMPMID9873680BindingDB
Ki7.34 nMPMID9873680ChEMBL

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