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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

NameCHEMBL262731
Molecular formulaC35H58N8O9
IUPAC name(3S)-3-amino-4-[[(2S)-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]ethylamino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-oxobutanoic acid
Molecular weight734.896
Hydrogen bond acceptor11
Hydrogen bond donor10
XlogP-2.1
SynonymsBDBM50001436
3-Amino-N-{1-[1-(1-{2-[1-(1-carbamoyl-3-methyl-butylcarbamoyl)-3-methyl-butylamino]-ethylcarbamoyl}-2-methyl-propylcarbamoyl)-2-phenyl-ethylcarbamoyl]-2-hydroxy-ethyl}-succinamic acid
Inchi KeyOHIXPWYTOZKZJQ-TXHOTXIUSA-N
Inchi IDInChI=1S/C35H58N8O9/c1-19(2)14-24(30(37)47)40-32(49)25(15-20(3)4)38-12-13-39-35(52)29(21(5)6)43-33(50)26(16-22-10-8-7-9-11-22)41-34(51)27(18-44)42-31(48)23(36)17-28(45)46/h7-11,19-21,23-27,29,38,44H,12-18,36H2,1-6H3,(H2,37,47)(H,39,52)(H,40,49)(H,41,51)(H,42,48)(H,43,50)(H,45,46)/t23-,24-,25-,26-,27-,29-/m0/s1
PubChem CID10395197
ChEMBLCHEMBL262731
IUPHARN/A
BindingDB50001436
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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