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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

NameCHEMBL31986
Molecular formulaC23H22N4O3S
IUPAC name1-[1-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-4H-3,1-benzoxazin-2-one
Molecular weight434.514
Hydrogen bond acceptor6
Hydrogen bond donor0
XlogP3.3
Synonyms1-[1-[2-(4-Pyridyl)-4-methyl-5-thiazolylcarbonyl]-4-piperidinyl]-1,4-dihydro-2H-3,1-benzoxazine-2-one
BDBM50219728
Inchi KeyAJMCFRCKANGIPC-UHFFFAOYSA-N
Inchi IDInChI=1S/C23H22N4O3S/c1-15-20(31-21(25-15)16-6-10-24-11-7-16)22(28)26-12-8-18(9-13-26)27-19-5-3-2-4-17(19)14-30-23(27)29/h2-7,10-11,18H,8-9,12-14H2,1H3
PubChem CID44278983
ChEMBLCHEMBL31986
IUPHARN/A
BindingDB50219728
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki125.89 nMPMID11992786ChEMBL
Ki126.0 nMPMID11992786BindingDB

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