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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

NameCHEMBL26790
Molecular formulaC33H36Cl2N4O2
IUPAC name3-[1-[3-[1-benzyl-3-(3,4-dichlorophenyl)-6-oxopiperidin-3-yl]propyl]piperidin-4-yl]-1H-benzimidazol-2-one
Molecular weight591.577
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP6.1
SynonymsSCHEMBL7842031
1-(1-{3-[1-Benzyl-3-(3,4-dichloro-phenyl)-6-oxo-piperidin-3-yl]-propyl}-piperidin-4-yl)-1,3-dihydro-benzoimidazol-2-one
BDBM50070353
Inchi KeyADXFJIYJEFFOSY-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H36Cl2N4O2/c34-27-12-11-25(21-28(27)35)33(17-13-31(40)38(23-33)22-24-7-2-1-3-8-24)16-6-18-37-19-14-26(15-20-37)39-30-10-5-4-9-29(30)36-32(39)41/h1-5,7-12,21,26H,6,13-20,22-23H2,(H,36,41)
PubChem CID23294208
ChEMBLCHEMBL26790
IUPHARN/A
BindingDB50070353
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
IC506.4 nMPMID9871763BindingDB,ChEMBL

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