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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

NameCHEMBL46795
Molecular formulaC35H40Cl2N2O6
IUPAC name[(2S)-2-(3,4-dichlorophenyl)-2-[2-[(2R)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]ethyl]morpholin-4-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight655.613
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50090484
spiro[(2-hydroxy)indane-1,40-piperidine] analogue
(2R)-1'-[2-[(2S)-2-(3,4-Dichlorophenyl)-4-(3,4,5-trimethoxybenzoyl)morpholine-2-yl]ethyl]spiro[indan-1,4'-piperidine]-2-ol
Inchi KeyOXPHGFUXQGFKRJ-CYEXUTLASA-N
Inchi IDInChI=1S/C35H40Cl2N2O6/c1-42-29-18-24(19-30(43-2)32(29)44-3)33(41)39-16-17-45-35(22-39,25-8-9-27(36)28(37)21-25)12-15-38-13-10-34(11-14-38)26-7-5-4-6-23(26)20-31(34)40/h4-9,18-19,21,31,40H,10-17,20,22H2,1-3H3/t31-,35-/m1/s1
PubChem CID44290490
ChEMBLCHEMBL46795
IUPHARN/A
BindingDB50090484
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
IC50<1000.0 nMPMID10937720BindingDB,ChEMBL

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