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GPCR

NameSubstance-P receptor
SpeciesCavia porcellus (Guinea pig)
GeneTACR1
SynonymNK-1 receptor
NK-1R
SPR
Tachykinin receptor 1
DiseaseN/A for non-human GPCRs
Length407
Amino acid sequenceMDNVLPVDSDLFPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPGRVVCMIEWPSHPDKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAADYEGLEMKSTRYFQTQGSVYKVSRLETTISTVVGAHEEDPEEGPKATPSSLDLTSNGSSRSNSKTVTESSSFYSNMLS
UniProtP30547
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL3942
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL169318
Molecular formulaC29H33Cl2N5O5
IUPAC name[(5R)-5-(3,4-dichlorophenyl)-5-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazolidin-3-yl]-(3,4,5-trimethoxyphenyl)methanone
Molecular weight602.513
Hydrogen bond acceptor9
Hydrogen bond donor0
XlogP4.2
Synonyms1-[2-[(5R)-3-(3,4,5-Trimethoxybenzoyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-(2-pyrimidinyl)piperazine
Inchi KeyGKKVDJJSVNVCKD-LJAQVGFWSA-N
Inchi IDInChI=1S/C29H33Cl2N5O5/c1-38-24-15-20(16-25(39-2)26(24)40-3)27(37)36-18-29(41-19-36,21-5-6-22(30)23(31)17-21)7-10-34-11-13-35(14-12-34)28-32-8-4-9-33-28/h4-6,8-9,15-17H,7,10-14,18-19H2,1-3H3/t29-/m0/s1
PubChem CID44382405
ChEMBLCHEMBL169318
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
Inhibition100.0 %PMID10206553ChEMBL

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