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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

NameCHEMBL335886
Molecular formulaC34H48N3O6S+
IUPAC namemethyl 3-[[(1S,2R,4R)-2-hydroxy-7,7-dimethyl-1-(spiro[indene-1,4'-piperidine]-1'-ylsulfonylmethyl)-2-bicyclo[2.2.1]heptanyl]methylcarbamoyl]-1-azoniabicyclo[2.2.2]octane-1-carboxylate
Molecular weight626.833
Hydrogen bond acceptor7
Hydrogen bond donor2
XlogP3.9
SynonymsBDBM50043106
methyl 3-[2-hydroxy-7,7-dimethyl-1-spiro[1H-indene-1,4''-(hexahydropyridine)]-1-ylsulfonylmethyl-(1S,2R,4R)-bicyclo[2.2.1]hept-2-ylmethylcarbamoyl]-1-azoniabicyclo[2.2.2]octane-1-carboxylate
Inchi KeyBFZIIEHECQVPQB-CXNPKWBMSA-O
Inchi IDInChI=1S/C34H47N3O6S/c1-31(2)26-9-13-33(31,23-44(41,42)36-16-14-32(15-17-36)12-8-25-6-4-5-7-28(25)32)34(40,20-26)22-35-29(38)27-21-37(30(39)43-3)18-10-24(27)11-19-37/h4-8,12,24,26-27,40H,9-11,13-23H2,1-3H3/p+1/t24?,26-,27?,33+,34+,37?/m1/s1
PubChem CID44352363
ChEMBLCHEMBL335886
IUPHARN/A
BindingDB50043106
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5027.0 nMPMID8258821BindingDB,ChEMBL

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