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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

NameCHEMBL24353
Molecular formulaC27H29Cl2N5O5
IUPAC nameN-[1-[2-[[(2S)-1-amino-3-(3,4-dichlorophenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]-5-methyl-2-oxo-3H-1,4-benzodiazepin-3-yl]-5-oxohexanamide
Molecular weight574.459
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP1.9
SynonymsBDBM50218609
Inchi KeyAKLZJTDTARMCIF-GVNKFJBHSA-N
Inchi IDInChI=1S/C27H29Cl2N5O5/c1-15(35)6-5-9-23(36)33-26-27(39)34(22-8-4-3-7-18(22)16(2)31-26)14-24(37)32-21(25(30)38)13-17-10-11-19(28)20(29)12-17/h3-4,7-8,10-12,21,26H,5-6,9,13-14H2,1-2H3,(H2,30,38)(H,32,37)(H,33,36)/t21-,26?/m0/s1
PubChem CID44275002
ChEMBLCHEMBL24353
IUPHARN/A
BindingDB50218609
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki199.53 nMPMID11392542ChEMBL
Ki200.0 nMPMID11392542BindingDB

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