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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

NameCHEMBL131269
Molecular formulaC30H39N3O3S
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-pyridin-4-ylacetamide
Molecular weight521.72
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP4.6
SynonymsBDBM50043104
1N-[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-(4-pyridyl)acetamide
Inchi KeyDMLVYVRRSAAXED-MQRABVPWSA-N
Inchi IDInChI=1S/C30H39N3O3S/c1-28(2)24-8-12-30(28,26(20-24)32-27(34)19-22-9-15-31-16-10-22)21-37(35,36)33-17-13-29(14-18-33)11-7-23-5-3-4-6-25(23)29/h3-6,9-10,15-16,24,26H,7-8,11-14,17-21H2,1-2H3,(H,32,34)/t24-,26+,30-/m1/s1
PubChem CID10436744
ChEMBLCHEMBL131269
IUPHARN/A
BindingDB50043104
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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