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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

NameCHEMBL339464
Molecular formulaC36H50N2O4S
IUPAC name2-(1-adamantyl)-N-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]methyl]acetamide
Molecular weight606.866
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP6.6
SynonymsBDBM50043133
1N-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethyl]-2-(1-adamantyl)acetamide
Inchi KeyFBCFBFJNYGQCNM-LPNNTANXSA-N
Inchi IDInChI=1S/C36H50N2O4S/c1-32(2)29-8-10-35(32,24-43(41,42)38-13-11-34(12-14-38)9-7-28-5-3-4-6-30(28)34)36(40,21-29)23-37-31(39)22-33-18-25-15-26(19-33)17-27(16-25)20-33/h3-7,9,25-27,29,40H,8,10-24H2,1-2H3,(H,37,39)/t25?,26?,27?,29-,33?,35+,36+/m1/s1
PubChem CID44352473
ChEMBLCHEMBL339464
IUPHARN/A
BindingDB50043133
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC50480.0 nMPMID8258821BindingDB,ChEMBL

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