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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

NameCHEMBL1083866
Molecular formulaC36H48N4O3S
IUPAC name6-methyl-N-[1-[[(2S)-5-[4-(oxan-4-yl)piperazin-1-yl]-1-phenylpentan-2-yl]carbamoyl]cyclopentyl]-1-benzothiophene-2-carboxamide
Molecular weight616.865
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP6.3
SynonymsBDBM50415946
Inchi KeyJXPNJRFLIWRZMU-PMERELPUSA-N
Inchi IDInChI=1S/C36H48N4O3S/c1-27-11-12-29-26-33(44-32(29)24-27)34(41)38-36(15-5-6-16-36)35(42)37-30(25-28-8-3-2-4-9-28)10-7-17-39-18-20-40(21-19-39)31-13-22-43-23-14-31/h2-4,8-9,11-12,24,26,30-31H,5-7,10,13-23,25H2,1H3,(H,37,42)(H,38,41)/t30-/m0/s1
PubChem CID46237038
ChEMBLCHEMBL1083866
IUPHARN/A
BindingDB50415946
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
Ki0.251 nMPMID20408549BindingDB
Ki0.2512 nMPMID20408549ChEMBL

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