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GPCR

NameOxytocin receptor
SpeciesHomo sapiens (Human)
GeneOXTR
SynonymOTR
OT-R
OT receptor
DiseaseThreatened pre-term labour
Postpartum haemorrhage
Premature ejaculation
Miscarriage
Female sexual dysfunction
[ Show all ]
Length389
Amino acid sequenceMEGALAANWSAEAANASAAPPGAEGNRTAGPPRRNEALARVEVAVLCLILLLALSGNACVLLALRTTRQKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLATWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYITWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAEAPEGAAAGDGGRVALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDANAPKEASAFIIVMLLASLNSCCNPWIYMLFTGHLFHELVQRFLCCSASYLKGRRLGETSASKKSNSSSFVLSHRSSSQRSCSQPSTA
UniProtP30559
Protein Data BankN/A
GPCR-HGmod modelP30559
3D structure modelThis predicted structure model is from GPCR-EXP P30559.
BioLiPN/A
Therapeutic Target DatabaseT84486
ChEMBLCHEMBL2049
IUPHAR369
DrugBankBE0000844

Ligand

NameCHEMBL143341
Molecular formulaC25H30N4O4
IUPAC nameN-[3-[4-[4-(2-oxo-3,4-dihydroquinazolin-1-yl)piperidine-1-carbonyl]phenoxy]propyl]acetamide
Molecular weight450.539
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.0
SynonymsBDBM50029645
N-(3-{4-[4-(2-Oxo-3,4-dihydro-2H-quinazolin-1-yl)-piperidine-1-carbonyl]-phenoxy}-propyl)-acetamide
1-[1-[4-[3-(Acetylamino)propoxy]benzoyl]piperidin-4-yl]-3,4-dihydroquinazolin-2(1H)-one
Inchi KeyARYCLQZCSNCCEN-UHFFFAOYSA-N
Inchi IDInChI=1S/C25H30N4O4/c1-18(30)26-13-4-16-33-22-9-7-19(8-10-22)24(31)28-14-11-21(12-15-28)29-23-6-3-2-5-20(23)17-27-25(29)32/h2-3,5-10,21H,4,11-17H2,1H3,(H,26,30)(H,27,32)
PubChem CID44361521
ChEMBLCHEMBL143341
IUPHARN/A
BindingDB50029645
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki2100.0 nMPMID7473590BindingDB,ChEMBL

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