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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

NameCHEMBL359885
Molecular formulaC25H34N4O3
IUPAC name(2R)-2-[[benzyl(methyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
Molecular weight438.572
Hydrogen bond acceptor4
Hydrogen bond donor2
XlogP2.4
Synonyms(R)-2-(3-Benzyl-3-methyl-ureido)-N-(3-morpholin-4-yl-propyl)-3-phenyl-propionamide
BDBM50159891
Inchi KeyALXVTDNMLPAWDU-HSZRJFAPSA-N
Inchi IDInChI=1S/C25H34N4O3/c1-28(20-22-11-6-3-7-12-22)25(31)27-23(19-21-9-4-2-5-10-21)24(30)26-13-8-14-29-15-17-32-18-16-29/h2-7,9-12,23H,8,13-20H2,1H3,(H,26,30)(H,27,31)/t23-/m1/s1
PubChem CID44391005
ChEMBLCHEMBL359885
IUPHARN/A
BindingDB50159891
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki3000.0 nMPMID15664817BindingDB,ChEMBL

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