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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

NameCHEMBL32745
Molecular formulaC29H34N4O5S
IUPAC name1-[1-[7-methyl-1-[[(2R)-1-methylsulfonylpyrrolidin-2-yl]methyl]indole-5-carbonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight550.674
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.2
SynonymsBDBM50219720
1-[1-[[1-[[(2R)-1-(Methylsulfonyl)-2-pyrrolidinyl]methyl]-7-methyl-1H-indole-5-yl]carbonyl]-4-piperidinyl]-4H-3,1-benzooxazine-2(1H)-one
Inchi KeyAUCCRZPRVDTNFD-RUZDIDTESA-N
Inchi IDInChI=1S/C29H34N4O5S/c1-20-16-23(17-21-9-13-31(27(20)21)18-25-7-5-12-32(25)39(2,36)37)28(34)30-14-10-24(11-15-30)33-26-8-4-3-6-22(26)19-38-29(33)35/h3-4,6,8-9,13,16-17,24-25H,5,7,10-12,14-15,18-19H2,1-2H3/t25-/m1/s1
PubChem CID44279637
ChEMBLCHEMBL32745
IUPHARN/A
BindingDB50219720
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki10.0 nMPMID11992786BindingDB
Ki10.0 nMPMID11992786ChEMBL

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