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GPCR

NameSubstance-K receptor
SpeciesHomo sapiens (Human)
GeneTACR2
SynonymNK2 receptor
Neurokinin A receptor
Tachykinin receptor 2
TAC2R
Substance K receptor
[ Show all ]
DiseaseUrinary incontinence
Pain
Unspecified
Irritable bowel syndrome with diarrhoea
Irritable bowel syndrome
[ Show all ]
Length398
Amino acid sequenceMGTCDIVTEANISSGPESNTTGITAFSMPSWQLALWATAYLALVLVAVTGNAIVIWIILAHRRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPSTKAVIAGIWLVALALASPQCFYSTVTMDQGATKCVVAWPEDSGGKTLLLYHLVVIALIYFLPLAVMFVAYSVIGLTLWRRAVPGHQAHGANLRHLQAMKKFVKTMVLVVLTFAICWLPYHLYFILGSFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTKEDKLELTPTTSLSTRVNRCHTKETLFMAGDTAPSEATSGEAGRPQDGSGLWFGYGLLAPTKTHVEI
UniProtP21452
Protein Data BankN/A
GPCR-HGmod modelP21452
3D structure modelThis predicted structure model is from GPCR-EXP P21452.
BioLiPN/A
Therapeutic Target DatabaseT52790
ChEMBLCHEMBL2327
IUPHAR361
DrugBankBE0002222

Ligand

NameCHEMBL179891
Molecular formulaC29H41N3O4
IUPAC name2-methyl-N-[(2S)-1-(3-morpholin-4-ylpropylamino)-1-oxo-3-phenylpropan-2-yl]-2-(4-propan-2-ylphenoxy)propanamide
Molecular weight495.664
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.3
SynonymsBDBM50159896
2-(4-Isopropyl-phenoxy)-2-methyl-N-[(S)-1-(3-morpholin-4-yl-propylcarbamoyl)-2-phenyl-ethyl]-propionamide
Inchi KeyAVIXBFZEMMRRMZ-SANMLTNESA-N
Inchi IDInChI=1S/C29H41N3O4/c1-22(2)24-11-13-25(14-12-24)36-29(3,4)28(34)31-26(21-23-9-6-5-7-10-23)27(33)30-15-8-16-32-17-19-35-20-18-32/h5-7,9-14,22,26H,8,15-21H2,1-4H3,(H,30,33)(H,31,34)/t26-/m0/s1
PubChem CID44391043
ChEMBLCHEMBL179891
IUPHARN/A
BindingDB50159896
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Ki<1000.0 nMPMID15664817BindingDB,ChEMBL

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