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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

NameCHEMBL208900
Molecular formulaC27H25N3O2
IUPAC nameN-phenyl-2-[1-[3-(2-pyridin-2-ylethynyl)benzoyl]piperidin-4-yl]acetamide
Molecular weight423.516
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP3.9
SynonymsSCHEMBL6364277
Inchi KeyAMPSKISTSYREGO-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25N3O2/c31-26(29-25-10-2-1-3-11-25)20-22-14-17-30(18-15-22)27(32)23-8-6-7-21(19-23)12-13-24-9-4-5-16-28-24/h1-11,16,19,22H,14-15,17-18,20H2,(H,29,31)
PubChem CID9845189
ChEMBLCHEMBL208900
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition11.0 %PMID16580201ChEMBL

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