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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

NameBDBM50043061
Molecular formulaC31H39N3O5S
IUPAC nameN-[2-[(1S,2S,4R)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]ethyl]-6-oxo-1H-pyridine-3-carboxamide
Molecular weight565.729
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP3.7
Synonyms5N-{2-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2S,4R)-bicyclo[2.2.1]hept-2-yl]ethyl}-2-oxo-2,3-dihydro-5-pyridinecarboxamide
Inchi KeyBLAVMBRSJZQEHW-XGJRVREISA-N
Inchi IDInChI=1S/C31H39N3O5S/c1-28(2)24-10-12-30(28,31(37,19-24)13-16-32-27(36)23-7-8-26(35)33-20-23)21-40(38,39)34-17-14-29(15-18-34)11-9-22-5-3-4-6-25(22)29/h3-9,11,20,24,37H,10,12-19,21H2,1-2H3,(H,32,36)(H,33,35)/t24-,30+,31-/m1/s1
PubChem CID91929285
ChEMBLN/A
IUPHARN/A
BindingDB50043061
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5049.0 nMPMID8258821BindingDB

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