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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

NameCHEMBL282728
Molecular formulaC26H24N2O4
IUPAC name(4-methoxyphenyl)methyl (2S)-2-benzamido-3-(1H-indol-3-yl)propanoate
Molecular weight428.488
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP4.5
SynonymsBDBM50030141
(S)-2-Benzoylamino-3-(1H-indol-3-yl)-propionic acid 4-methoxy-benzyl ester
Inchi KeyAYWZDQSVYRGCLX-DEOSSOPVSA-N
Inchi IDInChI=1S/C26H24N2O4/c1-31-21-13-11-18(12-14-21)17-32-26(30)24(28-25(29)19-7-3-2-4-8-19)15-20-16-27-23-10-6-5-9-22(20)23/h2-14,16,24,27H,15,17H2,1H3,(H,28,29)/t24-/m0/s1
PubChem CID10410322
ChEMBLCHEMBL282728
IUPHARN/A
BindingDB50030141
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<5000.0 nMPMID7513763BindingDB,ChEMBL

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