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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

NameCHEMBL441115
Molecular formulaC32H40N4O4
IUPAC name(2S)-N-(3-morpholin-4-ylpropyl)-3-phenyl-2-[[4-(4-propan-2-ylphenoxy)phenyl]carbamoylamino]propanamide
Molecular weight544.696
Hydrogen bond acceptor5
Hydrogen bond donor3
XlogP4.9
SynonymsBDBM50159873
(S)-2-{3-[4-(4-Isopropyl-phenoxy)-phenyl]-ureido}-N-(3-morpholin-4-yl-propyl)-3-phenyl-propionamide
Inchi KeyAKCNXMUAPPMEEU-PMERELPUSA-N
Inchi IDInChI=1S/C32H40N4O4/c1-24(2)26-9-13-28(14-10-26)40-29-15-11-27(12-16-29)34-32(38)35-30(23-25-7-4-3-5-8-25)31(37)33-17-6-18-36-19-21-39-22-20-36/h3-5,7-16,24,30H,6,17-23H2,1-2H3,(H,33,37)(H2,34,35,38)/t30-/m0/s1
PubChem CID44390553
ChEMBLCHEMBL441115
IUPHARN/A
BindingDB50159873
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Ki63.0 nMPMID15664817BindingDB,ChEMBL

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