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GPCR

NameNeuromedin-K receptor
SpeciesCavia porcellus (Guinea pig)
GeneTACR3
SynonymNeurokinin B receptor
NK-3 receptor
NK-3R
NKR
Tachykinin receptor 3
DiseaseN/A for non-human GPCRs
Length440
Amino acid sequenceMASPAGNLSAWPGWGWPPPAALRNLTSSPAPTASPSPAPSWTPSPRPGPAHPFLQPPWAVALWSLAYGAVVAVAVLGNLVVIWIVLAHKRMRTVTNSFLVNLAFADAAMAALNALVNFIYALHGEWYFGANYCRFQNFFPITAVFASIYSMTAIAVDRYMAIIDPLKPRLSATATRIVIGSIWILAFLLAFPQCLYSKIKVMPGRTLCYVQWPEGSRQHFTYHMIVIVLVYCFPLLIMGITYTIVGITLWGGEIPGDTCDKYQEQLKAKRKVVKMMIIVVVTFAICWLPYHIYFILTAIYQQLNRWKYIQQVYLASFWLAMSSTMYNPIIYCCLNKRFRAGFKRAFRWCPFIHVSSYDELELKATRLHPMRQSSLYTVTRMESMSVVFDSNDGDSARSSHQKRGTTRDVGSNVCSRRNSKSTSTTASFVSSSHMSVEEGS
UniProtP30098
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3799
IUPHARN/A
DrugBankN/A

Ligand

NameBurapitant
Molecular formulaC31H35Cl2F6N3O3
IUPAC name2-[1-[2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]piperidin-4-yl]-2-methylpropanamide
Molecular weight682.529
Hydrogen bond acceptor10
Hydrogen bond donor1
XlogP6.2
SynonymsAN-27922
SSR-240600C
CHEMBL3544947
2-[1-[2-[4-[2-[3,5-bis(trifluoromethyl)phenyl]acetyl]-2-(3,4-dichlorophenyl)morpholin-2-yl]ethyl]-4-piperidyl]-2-methyl-propanamide
SCHEMBL1281822
[ Show all ]
Inchi KeyZLNYUCXXSDDIFU-UHFFFAOYSA-N
Inchi IDInChI=1S/C31H35Cl2F6N3O3/c1-28(2,27(40)44)20-5-8-41(9-6-20)10-7-29(21-3-4-24(32)25(33)17-21)18-42(11-12-45-29)26(43)15-19-13-22(30(34,35)36)16-23(14-19)31(37,38)39/h3-4,13-14,16-17,20H,5-12,15,18H2,1-2H3,(H2,40,44)
PubChem CID9917944
ChEMBLN/A
IUPHARN/A
BindingDB86055
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
Ki21.0 nMPMID12438541BindingDB

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