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GPCR

NameSubstance-K receptor
SpeciesRattus norvegicus (Rat)
GeneTacr2
SynonymTAC2R
Substance K receptor
SP-E receptor
SKR
NKNAR
[ Show all ]
DiseaseN/A for non-human GPCRs
Length390
Amino acid sequenceMGTRAIVSDANILSGLESNATGVTAFSMPGWQLALWATAYLALVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFIYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAIIAGIWLVALALASPQCFYSTITVDEGATKCVVAWPNDNGGKMLLLYHLVVFVLIYFLPLLVMFGAYSVIGLTLWKRAVPRHQAHGANLRHLQAKKKFVKAMVLVVLTFAICWLPYHLYFILGTFQEDIYYHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTHTPSLSRRVNRCHTKETLFMTGDMTHSEATNGQVGSPQDGEPAGPICKAQA
UniProtP16610
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4554
IUPHAR361
DrugBankN/A

Ligand

NameCHEMBL268293
Molecular formulaC36H47N7O6S
IUPAC name3-[(2R,5S,8R,11R,14S)-8-benzyl-5-(1H-indol-3-ylmethyl)-11-(2-methylpropyl)-14-(2-methylsulfanylethyl)-3,6,9,12,15-pentaoxo-1,4,7,10,13-pentazacyclopentadec-2-yl]propanamide
Molecular weight705.875
Hydrogen bond acceptor7
Hydrogen bond donor7
XlogP2.8
SynonymsBDBM50406745
Inchi KeyDEKUMZCJPNNXOG-JPGUHONBSA-N
Inchi IDInChI=1S/C36H47N7O6S/c1-21(2)17-28-34(47)40-27(15-16-50-3)33(46)39-26(13-14-31(37)44)32(45)43-30(19-23-20-38-25-12-8-7-11-24(23)25)36(49)42-29(35(48)41-28)18-22-9-5-4-6-10-22/h4-12,20-21,26-30,38H,13-19H2,1-3H3,(H2,37,44)(H,39,46)(H,40,47)(H,41,48)(H,42,49)(H,43,45)/t26-,27+,28-,29-,30+/m1/s1
PubChem CID44264515
ChEMBLN/A
IUPHARN/A
BindingDB50406745
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Kd630.96 nMPMID7678430BindingDB

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