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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

NameCHEMBL281988
Molecular formulaC34H33F3N4O5
IUPAC name1-[1-[2-[[(3R)-3-[2-oxo-5-(trifluoromethyl)pyridin-1-yl]piperidin-1-yl]methyl]-1-benzofuran-5-carbonyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight634.656
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.4
SynonymsBDBM50219777
1-[1-[2-[[(3R)-3alpha-[2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridine-1-yl]piperidino]methyl]benzofuran-5-ylcarbonyl]-4-piperidinyl]-1,4-dihydro-2H-3,1-benzoxazine-2-one
Inchi KeyBGUKJIRWJBBKFX-HHHXNRCGSA-N
Inchi IDInChI=1S/C34H33F3N4O5/c35-34(36,37)25-8-10-31(42)40(18-25)27-5-3-13-38(19-27)20-28-17-24-16-22(7-9-30(24)46-28)32(43)39-14-11-26(12-15-39)41-29-6-2-1-4-23(29)21-45-33(41)44/h1-2,4,6-10,16-18,26-27H,3,5,11-15,19-21H2/t27-/m1/s1
PubChem CID44280356
ChEMBLCHEMBL281988
IUPHARN/A
BindingDB50219777
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
HSA shift222.0 -PMID11992787ChEMBL
Ki25.0 nMPMID11992787BindingDB
Ki25.12 nMPMID11992787ChEMBL

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