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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

NameCHEMBL24456
Molecular formulaC32H38F3N3O5
IUPAC name1-[1-[2-[4-[1-(cyclopropylmethyl)piperidin-4-yl]oxy-2-(2,2,2-trifluoroethoxy)phenyl]acetyl]piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight601.667
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP5.3
SynonymsFESJTQVJBDVIDG-UHFFFAOYSA-N
1-[1-[2-(2,2,2-Trifluoroethoxy)-4-[1-(cyclopropylmethyl)-4-piperidinyloxy]phenylacetyl]-4-piperidinyl]-1,4-dihydro-2H-3,1-benzoxazine-2-one
1-(1-(4-(1-cyclopropylmethyl-4-piperidinyloxy)-2-(2,2,2-trifluoro-ethoxy)phenylacetyl)piperidin-4-yl)-4H-3,1-benzoxazin-2(1H)-one
SCHEMBL8088545
1-(1-{2-[4-(1-Cyclopropylmethyl-piperidin-4-yloxy)-2-(2,2,2-trifluoro-ethoxy)-phenyl]-acetyl}-piperidin-4-yl)-1,4-dihydro-benzo[d][1,3]oxazin-2-one
[ Show all ]
Inchi KeyFESJTQVJBDVIDG-UHFFFAOYSA-N
Inchi IDInChI=1S/C32H38F3N3O5/c33-32(34,35)21-42-29-18-27(43-26-11-13-36(14-12-26)19-22-5-6-22)8-7-23(29)17-30(39)37-15-9-25(10-16-37)38-28-4-2-1-3-24(28)20-41-31(38)40/h1-4,7-8,18,22,25-26H,5-6,9-17,19-21H2
PubChem CID15840423
ChEMBLCHEMBL24456
IUPHARN/A
BindingDB50077041
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
Ki1.2 nMPMID10340620BindingDB,ChEMBL

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