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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

NameCHEMBL310019
Molecular formulaC26H29Cl2F6N3O2
IUPAC name(Z)-1-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-(3,4-dichlorophenyl)-N-methoxy-5-(4-methylpiperazin-1-yl)pentan-2-imine
Molecular weight600.427
Hydrogen bond acceptor11
Hydrogen bond donor0
XlogP6.8
SynonymsBDBM50093108
1-(3,5-Bis-trifluoromethyl-benzyloxy)-3-(3,4-dichloro-phenyl)-5-(4-methyl-piperazin-1-yl)-pentan-2-one O-methyl-oxime
Inchi KeyBGMAFASBOCNMKL-JWHWKPFMSA-N
Inchi IDInChI=1S/C26H29Cl2F6N3O2/c1-36-7-9-37(10-8-36)6-5-21(18-3-4-22(27)23(28)13-18)24(35-38-2)16-39-15-17-11-19(25(29,30)31)14-20(12-17)26(32,33)34/h3-4,11-14,21H,5-10,15-16H2,1-2H3/b35-24+
PubChem CID44314597
ChEMBLCHEMBL310019
IUPHARN/A
BindingDB50093108
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has more than 10 hydrogen bond acceptor.
This ligand is heavier than 500 daltons.
This ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
Ki200.0 nMPMID11055350BindingDB,ChEMBL

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