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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

NameCHEMBL32248
Molecular formulaC28H28N4O4
IUPAC namebenzyl N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
Molecular weight484.556
Hydrogen bond acceptor4
Hydrogen bond donor4
XlogP3.5
Synonyms20695-94-7
DTXSID80658144
BDBM50284761
ZINC19861699
AKOS027295163
[ Show all ]
Inchi KeyMOFIHHRIGQKWJP-DQEYMECFSA-N
Inchi IDInChI=1S/C28H28N4O4/c29-26(33)24(15-19-9-3-1-4-10-19)31-27(34)25(16-21-17-30-23-14-8-7-13-22(21)23)32-28(35)36-18-20-11-5-2-6-12-20/h1-14,17,24-25,30H,15-16,18H2,(H2,29,33)(H,31,34)(H,32,35)/t24-,25-/m0/s1
PubChem CID44281769
ChEMBLCHEMBL32248
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition>10.0 %Bioorg. Med. Chem. Lett., (1996) 6:2:165ChEMBL

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