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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

NameCHEMBL285012
Molecular formulaC27H32N4O5S
IUPAC nameN-methyl-N-[3-[5-[4-(2-oxo-4H-3,1-benzoxazin-1-yl)piperidine-1-carbonyl]indol-1-yl]propyl]methanesulfonamide
Molecular weight524.636
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP2.6
SynonymsBDBM50219759
Inchi KeyCFEMQYFHLLIQOO-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H32N4O5S/c1-28(37(2,34)35)13-5-14-29-15-10-20-18-21(8-9-24(20)29)26(32)30-16-11-23(12-17-30)31-25-7-4-3-6-22(25)19-36-27(31)33/h3-4,6-10,15,18,23H,5,11-14,16-17,19H2,1-2H3
PubChem CID44279433
ChEMBLCHEMBL285012
IUPHARN/A
BindingDB50219759
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki158.0 nMPMID11992786BindingDB
Ki158.49 nMPMID11992786ChEMBL

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