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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

NameCHEMBL1790201
Molecular formulaC43H63N11O12S2
IUPAC name(1R,7R,10R,19R,22S,25R,35R)-N,35-bis(2-amino-2-oxoethyl)-22-[(2R)-butan-2-yl]-25-[(4-hydroxyphenyl)methyl]-2,8,16,21,24,27,34,37-octaoxo-30,31-dithia-3,9,15,20,23,26,33,36-octazatricyclo[17.13.5.03,7]heptatriacontane-10-carboxamide
Molecular weight990.162
Hydrogen bond acceptor14
Hydrogen bond donor11
XlogP-2.2
SynonymsBDBM50406727
Inchi KeyBIISXYIAKVPGRD-BYFUSKEGSA-N
Inchi IDInChI=1S/C43H63N11O12S2/c1-3-23(2)36-42(65)50-27-13-14-34(58)46-16-5-4-7-26(37(60)47-21-33(45)57)49-41(64)31-8-6-17-54(31)43(66)30(52-39(62)29(20-32(44)56)51-38(27)61)22-68-67-18-15-35(59)48-28(40(63)53-36)19-24-9-11-25(55)12-10-24/h9-12,23,26-31,36,55H,3-8,13-22H2,1-2H3,(H2,44,56)(H2,45,57)(H,46,58)(H,47,60)(H,48,59)(H,49,64)(H,50,65)(H,51,61)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30+,31-,36+/m1/s1
PubChem CID56668141
ChEMBLCHEMBL1790201
IUPHARN/A
BindingDB50406727
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
Kd6.31 nMPMID1578481BindingDB,ChEMBL

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