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GPCR

NameOxytocin receptor
SpeciesRattus norvegicus (Rat)
GeneOxtr
SynonymOT receptor
OT-R
OTR
DiseaseN/A for non-human GPCRs
Length388
Amino acid sequenceMEGTPAANWSVELDLGSGVPPGEEGNRTAGPPQRNEALARVEVAVLCLILFLALSGNACVLLALRTTRHKHSRLFFFMKHLSIADLVVAVFQVLPQLLWDITFRFYGPDLLCRLVKYLQVVGMFASTYLLLLMSLDRCLAICQPLRSLRRRTDRLAVLGTWLGCLVASAPQVHIFSLREVADGVFDCWAVFIQPWGPKAYVTWITLAVYIVPVIVLAACYGLISFKIWQNLRLKTAAAAAAAEGNDAAGGAGRAALARVSSVKLISKAKIRTVKMTFIIVLAFIVCWTPFFFVQMWSVWDVNAPKEASAFIIAMLLASLNSCCNPWIYMLFTGHLFHELVQRFFCCSARYLKGSRPGETSVSKKSNSSTFVLSRRSSSQRSCSQPSSA
UniProtP70536
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3996
IUPHAR369
DrugBankN/A

Ligand

NameCHEMBL232501
Molecular formulaC46H73N11O12S2
IUPAC name(4R,7S,10S,13S,16S)-7-(2-amino-2-oxoethyl)-N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3,3-dimethyl-1-oxobutan-2-yl]-10-(3-amino-3-oxopropyl)-13-tert-butyl-16-[(4-ethoxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carboxamide
Molecular weight1036.28
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP0.0
SynonymsD06SMJ
[Mpa1, D-Tyr(Et)2, Gly(But)3, Gly(But)7]OT
BDBM50205994
Inchi KeyDUQYFIXOZDQOES-CQRJDLEJSA-N
Inchi IDInChI=1S/C46H73N11O12S2/c1-10-69-26-13-11-25(12-14-26)20-29-41(65)56-36(45(4,5)6)43(67)52-27(15-16-32(47)58)39(63)53-30(21-33(48)59)40(64)55-31(23-71-70-18-17-35(61)51-29)42(66)57-37(46(7,8)9)44(68)54-28(19-24(2)3)38(62)50-22-34(49)60/h11-14,24,27-31,36-37H,10,15-23H2,1-9H3,(H2,47,58)(H2,48,59)(H2,49,60)(H,50,62)(H,51,61)(H,52,67)(H,53,63)(H,54,68)(H,55,64)(H,56,65)(H,57,66)/t27-,28-,29-,30-,31-,36+,37+/m0/s1
PubChem CID44429300
ChEMBLCHEMBL232501
IUPHARN/A
BindingDB50205994
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 5 hydrogen bond donor.
This ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Activity0.0 IU/mgPMID17316912ChEMBL
Kd354.81 nMPMID17316912BindingDB,ChEMBL
Kd1000000000.0 nMPMID17316912BindingDB,ChEMBL

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