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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

NameCHEMBL319474
Molecular formulaC33H38Cl2N4O4
IUPAC name2-[(1-benzylpiperidin-4-yl)amino]-1-[2-(3,4-dichlorophenyl)-4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethanone
Molecular weight625.591
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.1
SynonymsBDBM50120200
2-(1-Benzyl-piperidin-4-ylamino)-1-[2-(3,4-dichloro-phenyl)-4-(3,5-dimethoxy-benzoyl)-piperazin-1-yl]-ethanone
Inchi KeyANCRAJKTKYCZOD-UHFFFAOYSA-N
Inchi IDInChI=1S/C33H38Cl2N4O4/c1-42-27-16-25(17-28(19-27)43-2)33(41)38-14-15-39(31(22-38)24-8-9-29(34)30(35)18-24)32(40)20-36-26-10-12-37(13-11-26)21-23-6-4-3-5-7-23/h3-9,16-19,26,31,36H,10-15,20-22H2,1-2H3
PubChem CID44337289
ChEMBLCHEMBL319474
IUPHARN/A
BindingDB50120200
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
Ki27.0 nMPMID12372524BindingDB,ChEMBL

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