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GPCR

NameSubstance-K receptor
SpeciesMesocricetus auratus (Golden hamster)
GeneTACR2
SynonymNeurokinin A receptor
NK-2 receptor
NK-2R
SKR
Tachykinin receptor 2
DiseaseN/A for non-human GPCRs
Length384
Amino acid sequenceMGGRAIVTDTNIFSGLESNTTGVTAFSMPAWQLALWATAYLGLVLVAVTGNATVIWIILAHERMRTVTNYFIINLALADLCMAAFNATFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPITKATIAGIWLVALALASPQCFYSTITVDQGATKCVVAWPNDNGGKMLLLYHLVVFVLVYFLPLVVMFVAYSVIGLTLWKRAVPRHQAHGANLRHLHAKKKFVKAMVLVVLTFAICWLPYHLYFILGSFQKDIYYRKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDRLELTRTPSLSRRVNRCHTKETLFMTADMTHSEATNGQVGSPQDVEPAAP
UniProtP51144
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2304405
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL409334
Molecular formulaC35H58N8O9
IUPAC name(3S)-3-amino-4-[[(2R)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxypropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight734.896
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-2.0
SynonymsBDBM50001452
3-Amino-N-(2-{1-[1-({[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butylcarbamoyl]-methyl}-carbamoyl)-2-methyl-propylcarbamoyl]-2-phenyl-ethylamino}-1-hydroxymethyl-ethyl)-succinamic acid
Inchi KeyPFHBMJQWZOEYKW-GSPGWMPHSA-N
Inchi IDInChI=1S/C35H58N8O9/c1-19(2)12-25(31(37)48)42-34(51)27(13-20(3)4)41-28(45)17-39-35(52)30(21(5)6)43-33(50)26(14-22-10-8-7-9-11-22)38-16-23(18-44)40-32(49)24(36)15-29(46)47/h7-11,19-21,23-27,30,38,44H,12-18,36H2,1-6H3,(H2,37,48)(H,39,52)(H,40,49)(H,41,45)(H,42,51)(H,43,50)(H,46,47)/t23-,24+,25+,26+,27+,30+/m1/s1
PubChem CID10439958
ChEMBLCHEMBL409334
IUPHARN/A
BindingDB50001452
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
IC50<10000.0 nMPMID1331450BindingDB,ChEMBL

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