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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

NameCHEMBL128398
Molecular formulaC28H38N4O3S
IUPAC nameN-[(1S,2S,4R)-7,7-dimethyl-1-(spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]-2-imidazol-1-ylacetamide
Molecular weight510.697
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.0
Synonyms1N-[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-(1H-1-imidazolyl)acetamide
BDBM50043100
Inchi KeyCCXMZTSJGNBYIC-ZXDNMGRFSA-N
Inchi IDInChI=1S/C28H38N4O3S/c1-26(2)22-8-10-28(26,24(17-22)30-25(33)18-31-16-13-29-20-31)19-36(34,35)32-14-11-27(12-15-32)9-7-21-5-3-4-6-23(21)27/h3-6,13,16,20,22,24H,7-12,14-15,17-19H2,1-2H3,(H,30,33)/t22-,24+,28-/m1/s1
PubChem CID11756081
ChEMBLCHEMBL128398
IUPHARN/A
BindingDB50043100
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50120.0 nMPMID8258821BindingDB,ChEMBL

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