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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

NameCHEMBL301437
Molecular formulaC26H34Cl2N2O2
IUPAC nameN-[2-(3,4-dichlorophenyl)-4-[4-(2-hydroxypropan-2-yl)piperidin-1-yl]butyl]-N-methylbenzamide
Molecular weight477.47
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.5
SynonymsBDBM50071121
N-{2-(3,4-Dichloro-phenyl)-4-[4-(1-hydroxy-1-methyl-ethyl)-piperidin-1-yl]-butyl}-N-methyl-benzamide
Inchi KeyDAJSDTWHSJMFGK-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H34Cl2N2O2/c1-26(2,32)22-12-15-30(16-13-22)14-11-21(20-9-10-23(27)24(28)17-20)18-29(3)25(31)19-7-5-4-6-8-19/h4-10,17,21-22,32H,11-16,18H2,1-3H3
PubChem CID44300632
ChEMBLCHEMBL301437
IUPHARN/A
BindingDB50071121
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki7.7 nMPMID9873462BindingDB,ChEMBL

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