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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

NameCHEMBL1083876
Molecular formulaC35H44N6O2S
IUPAC nameN-[1-[[(2S)-5-[4-(1H-imidazol-5-ylmethyl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-6-methyl-1-benzothiophene-2-carboxamide
Molecular weight612.837
Hydrogen bond acceptor6
Hydrogen bond donor3
XlogP5.6
SynonymsBDBM50415937
Inchi KeyJPQXHCVMHRKCDV-LJAQVGFWSA-N
Inchi IDInChI=1S/C35H44N6O2S/c1-26-11-12-28-22-32(44-31(28)20-26)33(42)39-35(13-5-6-14-35)34(43)38-29(21-27-8-3-2-4-9-27)10-7-15-40-16-18-41(19-17-40)24-30-23-36-25-37-30/h2-4,8-9,11-12,20,22-23,25,29H,5-7,10,13-19,21,24H2,1H3,(H,36,37)(H,38,43)(H,39,42)/t29-/m0/s1
PubChem CID46236392
ChEMBLCHEMBL1083876
IUPHARN/A
BindingDB50415937
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki1.0 nMPMID20408549BindingDB,ChEMBL

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