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GPCR

NameOxytocin receptor
SpeciesMacaca mulatta (Rhesus macaque)
GeneOXTR
SynonymOT-R
DiseaseN/A for non-human GPCRs
Length389
Amino acid sequenceMEGELAANWSTEAVNSSAAPPGAEGNCTAGPPRRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRMALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGNRLGETSTSKKSNSSSFVLSHRSSSQRSCSQPSTA
UniProtP56494
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLN/A
IUPHARN/A
DrugBankN/A

Ligand

NameL-366,811
Molecular formulaC43H56N8O6
IUPAC nameN-(2-amino-3-methylpentanoyl)-N-[1-(1H-indol-3-yl)-3-oxopropan-2-yl]-1-[2-(methylamino)-3-[6-(piperazine-1-carbonyl)-6-(2H-pyridine-1-carbonyl)cyclohexa-1,3-dien-1-yl]propanoyl]pyrrolidine-2-carboxamide
Molecular weight780.971
Hydrogen bond acceptor9
Hydrogen bond donor4
XlogP2.2
SynonymsCAS_3083084
BDBM81893
NSC_3083084
Inchi KeyPQTORSHXODXZHK-UHFFFAOYSA-N
Inchi IDInChI=1S/C43H56N8O6/c1-4-29(2)37(44)40(55)51(32(28-52)25-30-27-47-34-15-7-6-14-33(30)34)39(54)36-16-12-22-50(36)38(53)35(45-3)26-31-13-8-9-17-43(31,41(56)48-20-10-5-11-21-48)42(57)49-23-18-46-19-24-49/h5-11,13-15,20,27-29,32,35-37,45-47H,4,12,16-19,21-26,44H2,1-3H3
PubChem CID54592344
ChEMBLN/A
IUPHARN/A
BindingDB81893
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki4.7 nMPMID1988661BindingDB

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