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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

NameCHEMBL338503
Molecular formulaC30H40N2O6S
IUPAC name3-[1-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-2,5-dioxopyrrolidin-3-yl]propanoic acid
Molecular weight556.718
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP3.6
SynonymsBDBM50043095
3-{1-[7,7-dimethyl-1-spiro[2,3-dihydro-1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]-2,5-dioxotetrahydro-1H-3-pyrrolyl}propanoic acid
Inchi KeyDBPQXDYXFWSSCU-WKBYALOHSA-N
Inchi IDInChI=1S/C30H40N2O6S/c1-28(2)22-10-12-30(28,24(18-22)32-25(33)17-21(27(32)36)7-8-26(34)35)19-39(37,38)31-15-13-29(14-16-31)11-9-20-5-3-4-6-23(20)29/h3-6,21-22,24H,7-19H2,1-2H3,(H,34,35)/t21?,22-,24+,30-/m1/s1
PubChem CID11757440
ChEMBLCHEMBL338503
IUPHARN/A
BindingDB50043095
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5042.0 nMPMID8258821BindingDB,ChEMBL

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