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GPCR

NameOxytocin receptor
SpeciesRattus norvegicus (Rat)
GeneOxtr
SynonymOT receptor
OT-R
OTR
DiseaseN/A for non-human GPCRs
Length388
Amino acid sequenceMEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA
UniProtP70536
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3996
IUPHAR369
DrugBankN/A

Ligand

NameCHEMBL126883
Molecular formulaC21H25NO4S
IUPAC nameethyl 1-(4-methylphenyl)sulfonyl-4-phenylpiperidine-4-carboxylate
Molecular weight387.494
Hydrogen bond acceptor5
Hydrogen bond donor0
XlogP3.6
Synonyms1-[(4-Methylphenyl)sulfonyl]-4-phenylpiperidine-4-carboxylic acid ethyl ester
BDBM50001385
4-Phenyl-1-(toluene-4-sulfonyl)-piperidine-4-carboxylic acid ethyl ester
Inchi KeyDLMIXKIRUDXSFI-UHFFFAOYSA-N
Inchi IDInChI=1S/C21H25NO4S/c1-3-26-20(23)21(18-7-5-4-6-8-18)13-15-22(16-14-21)27(24,25)19-11-9-17(2)10-12-19/h4-12H,3,13-16H2,1-2H3
PubChem CID10452813
ChEMBLCHEMBL126883
IUPHARN/A
BindingDB50001385
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<30000.0 nMPMID1331449BindingDB,ChEMBL

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