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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

NameCHEMBL355506
Molecular formulaC28H29Cl2N5O3
IUPAC name1-[2-[(5R)-5-(3,4-dichlorophenyl)-3-(pyrazine-2-carbonyl)-1,3-oxazolidin-5-yl]ethyl]-4-phenylpiperidine-4-carboxamide
Molecular weight554.472
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP3.2
Synonyms1-[2-[(5R)-3-(2-Pyrazinylcarbonyl)-5-(3,4-dichlorophenyl)-5alpha-oxazolidinyl]ethyl]-4-phenylpiperidine-4-carboxamide
Inchi KeyANHLAQSORCGQGS-NDEPHWFRSA-N
Inchi IDInChI=1S/C28H29Cl2N5O3/c29-22-7-6-21(16-23(22)30)28(18-35(19-38-28)25(36)24-17-32-11-12-33-24)10-15-34-13-8-27(9-14-34,26(31)37)20-4-2-1-3-5-20/h1-7,11-12,16-17H,8-10,13-15,18-19H2,(H2,31,37)/t28-/m0/s1
PubChem CID44381871
ChEMBLCHEMBL355506
IUPHARN/A
BindingDBN/A
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
Inhibition23.0 %PMID10206553ChEMBL

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