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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

NameCHEMBL180238
Molecular formulaC30H36N4O4
IUPAC name(2R)-2-[[methyl-(4-phenoxyphenyl)carbamoyl]amino]-N-(3-morpholin-4-ylpropyl)-3-phenylpropanamide
Molecular weight516.642
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.0
SynonymsBDBM50159870
(R)-2-[3-Methyl-3-(4-phenoxy-phenyl)-ureido]-N-(3-morpholin-4-yl-propyl)-3-phenyl-propionamide
Inchi KeyANXVEUKNBZKYSA-MUUNZHRXSA-N
Inchi IDInChI=1S/C30H36N4O4/c1-33(25-13-15-27(16-14-25)38-26-11-6-3-7-12-26)30(36)32-28(23-24-9-4-2-5-10-24)29(35)31-17-8-18-34-19-21-37-22-20-34/h2-7,9-16,28H,8,17-23H2,1H3,(H,31,35)(H,32,36)/t28-/m1/s1
PubChem CID44390600
ChEMBLCHEMBL180238
IUPHARN/A
BindingDB50159870
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Ki<3000.0 nMPMID15664817BindingDB,ChEMBL

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