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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

NameCHEMBL354170
Molecular formulaC32H34Cl2N4O4
IUPAC name1-[2-[(5R)-3-(4-acetamidobenzoyl)-5-(3,4-dichlorophenyl)-1,3-oxazolidin-5-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Molecular weight609.548
Hydrogen bond acceptor5
Hydrogen bond donor2
XlogP4.1
Synonyms1-[2-[(5R)-3-[4-(Acetylamino)benzoyl]-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-phenylpiperidine-4-carboxamide
Inchi KeyBIDZTODFGRDEQL-YTTGMZPUSA-N
Inchi IDInChI=1S/C32H34Cl2N4O4/c1-22(39)36-26-10-7-23(8-11-26)29(40)38-20-32(42-21-38,25-9-12-27(33)28(34)19-25)15-18-37-16-13-31(14-17-37,30(35)41)24-5-3-2-4-6-24/h2-12,19H,13-18,20-21H2,1H3,(H2,35,41)(H,36,39)/t32-/m0/s1
PubChem CID44382530
ChEMBLCHEMBL354170
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition9.0 %PMID10206553ChEMBL

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