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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

NameCHEMBL338018
Molecular formulaC46H61N7O6
IUPAC name(3S,6R,9S,15R,18S,21R)-18-(4-aminobutyl)-15-benzyl-3-[(2S)-butan-2-yl]-16-methyl-6-(naphthalen-2-ylmethyl)-1,4,7,13,16,19-hexazatricyclo[19.4.0.09,13]pentacosane-2,5,8,14,17,20-hexone
Molecular weight808.037
Hydrogen bond acceptor7
Hydrogen bond donor4
XlogP5.1
SynonymsBDBM50001313
18-(4-Amino-butyl)-15-benzyl-3-sec-butyl-16-methyl-6-naphthalen-2-ylmethyl-1,4,7,13,16,19-hexaaza-tricyclo[19.4.0.0*9,13*]pentacosane-2,5,8,14,17,20-hexaone
Inchi KeyASIBWWHGDICUFM-IVDQXPDGSA-N
Inchi IDInChI=1S/C46H61N7O6/c1-4-30(2)40-46(59)53-25-13-11-20-37(53)42(55)48-35(19-10-12-24-47)44(57)51(3)39(29-31-15-6-5-7-16-31)45(58)52-26-14-21-38(52)43(56)49-36(41(54)50-40)28-32-22-23-33-17-8-9-18-34(33)27-32/h5-9,15-18,22-23,27,30,35-40H,4,10-14,19-21,24-26,28-29,47H2,1-3H3,(H,48,55)(H,49,56)(H,50,54)/t30-,35-,36+,37+,38-,39+,40-/m0/s1
PubChem CID10373199
ChEMBLCHEMBL338018
IUPHARN/A
BindingDB50001313
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
IC5013.0 nMPMID1331448BindingDB,ChEMBL

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