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GPCR

NameSubstance-K receptor
SpeciesBos taurus (Bovine)
GeneTACR2
SynonymNeurokinin A receptor
NK-2 receptor
NK-2R
SKR
Tachykinin receptor 2
DiseaseN/A for non-human GPCRs
Length384
Amino acid sequenceMGACVVMTDINISSGLDSNATGITAFSMPGWQLALWTAAYLALVLVAVMGNATVIWIILAHQRMRTVTNYFIVNLALADLCMAAFNAAFNFVYASHNIWYFGRAFCYFQNLFPITAMFVSIYSMTAIAADRYMAIVHPFQPRLSAPGTRAVIAGIWLVALALAFPQCFYSTITTDEGATKCVVAWPEDSGGKMLLLYHLIVIALIYFLPLVVMFVAYSVIGLTLWRRSVPGHQAHGANLRHLQAKKKFVKTMVLVVVTFAICWLPYHLYFILGTFQEDIYCHKFIQQVYLALFWLAMSSTMYNPIIYCCLNHRFRSGFRLAFRCCPWVTPTEEDKMELTYTPSLSTRVNRCHTKEIFFMSGDVAPSEAVNGQAESPQAGVSTEP
UniProtP05363
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4815
IUPHARN/A
DrugBankN/A

Ligand

NameSaredutant
Molecular formulaC31H35Cl2N3O2
IUPAC nameN-[(2S)-4-(4-acetamido-4-phenylpiperidin-1-yl)-2-(3,4-dichlorophenyl)butyl]-N-methylbenzamide
Molecular weight552.54
Hydrogen bond acceptor3
Hydrogen bond donor1
XlogP5.9
SynonymsSR-48968
142001-63-6
SR 48968
SR48968
[3H]saredutant
[ Show all ]
Inchi KeyPGKXDIMONUAMFR-AREMUKBSSA-N
Inchi IDInChI=1S/C31H35Cl2N3O2/c1-23(37)34-31(27-11-7-4-8-12-27)16-19-36(20-17-31)18-15-26(25-13-14-28(32)29(33)21-25)22-35(2)30(38)24-9-5-3-6-10-24/h3-14,21,26H,15-20,22H2,1-2H3,(H,34,37)/t26-/m1/s1
PubChem CID104974
ChEMBLCHEMBL308148
IUPHAR3481, 2111
BindingDB50071484
DrugBankDB06660

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
Ki0.5 nMPMID15324907BindingDB,ChEMBL

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