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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

NameCHEMBL458635
Molecular formulaC26H25N3O4S
IUPAC name4-methoxy-N-(6-methoxypyridin-3-yl)-N-[[5-(2-methylphenyl)pyridin-2-yl]methyl]benzenesulfonamide
Molecular weight475.563
Hydrogen bond acceptor7
Hydrogen bond donor0
XlogP4.3
SynonymsBDBM50413714
Inchi KeyBJACFZCSEUDRAZ-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H25N3O4S/c1-19-6-4-5-7-25(19)20-8-9-21(27-16-20)18-29(22-10-15-26(33-3)28-17-22)34(30,31)24-13-11-23(32-2)12-14-24/h4-17H,18H2,1-3H3
PubChem CID44581242
ChEMBLCHEMBL458635
IUPHARN/A
BindingDB50413714
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki1.995 nMPMID19081251ChEMBL
Ki2.0 nMPMID19081251BindingDB
Ki7.94 nMPMID19081251BindingDB
Ki7.943 nMPMID19081251ChEMBL

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