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GPCR

NameSubstance-P receptor
SpeciesRattus norvegicus (Rat)
GeneTacr1
SynonymTAC1R
Substance P receptor
SPR
NK1R
NK1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length407
Amino acid sequenceMDNVLPMDSDLFPNISTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAHKRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHVFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTISTVVGAHEEEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
UniProtP14600
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL4027
IUPHAR360
DrugBankN/A

Ligand

NameCHEMBL3596467
Molecular formulaC27H25F3N2O
IUPAC name3-[3-[(4-phenylpiperidin-4-yl)methoxymethyl]-5-(trifluoromethyl)phenyl]benzonitrile
Molecular weight450.505
Hydrogen bond acceptor6
Hydrogen bond donor1
XlogP5.6
SynonymsBDBM50106379
SCHEMBL13404155
Inchi KeyIEHYCCXHMLINGC-UHFFFAOYSA-N
Inchi IDInChI=1S/C27H25F3N2O/c28-27(29,30)25-15-21(14-23(16-25)22-6-4-5-20(13-22)17-31)18-33-19-26(9-11-32-12-10-26)24-7-2-1-3-8-24/h1-8,13-16,32H,9-12,18-19H2
PubChem CID24784955
ChEMBLCHEMBL3596467
IUPHARN/A
BindingDB50106379
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand has a partition coefficient log P greater than 5.

Experimental Data

ParameterValueReferenceDatabase source
IC5049.0 nMPMID26048800BindingDB

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