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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

NameCHEMBL257916
Molecular formulaC26H31F3N4O4
IUPAC name(2R)-2-[(2R,5R)-5-(2,3-dihydro-1H-inden-2-yl)-2-(2-methylpropyl)-3,6-dioxopiperazin-1-yl]-N-propan-2-yl-2-[2-(trifluoromethyl)-1,3-oxazol-4-yl]acetamide
Molecular weight520.553
Hydrogen bond acceptor8
Hydrogen bond donor2
XlogP4.1
SynonymsSCHEMBL3934965
Inchi KeyBCVTVMJUOJKICM-NJDAHSKKSA-N
Inchi IDInChI=1S/C26H31F3N4O4/c1-13(2)9-19-22(34)32-20(17-10-15-7-5-6-8-16(15)11-17)24(36)33(19)21(23(35)30-14(3)4)18-12-37-25(31-18)26(27,28)29/h5-8,12-14,17,19-21H,9-11H2,1-4H3,(H,30,35)(H,32,34)/t19-,20-,21-/m1/s1
PubChem CID44456151
ChEMBLCHEMBL257916
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki0.1585 nMPMID18032036ChEMBL

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