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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

NameCHEMBL590099
Molecular formulaC18H18ClN5O2
IUPAC name5-[3-[3-(2-chlorophenoxy)azetidin-1-yl]-5-methyl-1,2,4-triazol-4-yl]-2-methoxypyridine
Molecular weight371.825
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
SynonymsBDBM50305521
5-(3-(3-(2-chlorophenoxy)azetidin-1-yl)-5-methyl-4H-1,2,4-triazol-4-yl)-2-methoxypyridine
Inchi KeyBKPNHETWBVUDLZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C18H18ClN5O2/c1-12-21-22-18(24(12)13-7-8-17(25-2)20-9-13)23-10-14(11-23)26-16-6-4-3-5-15(16)19/h3-9,14H,10-11H2,1-2H3
PubChem CID46225116
ChEMBLCHEMBL590099
IUPHARN/A
BindingDB50305521
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki55.1 nMPMID19963374BindingDB,ChEMBL

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