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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

NameCHEMBL3596459
Molecular formulaC30H28F3NO
IUPAC name4-[[3-naphthalen-2-yl-5-(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
Molecular weight475.555
Hydrogen bond acceptor5
Hydrogen bond donor1
XlogP7.1
SynonymsBDBM50106370
SCHEMBL13404111
Inchi KeyHHTIYKWLSACTBN-UHFFFAOYSA-N
Inchi IDInChI=1S/C30H28F3NO/c31-30(32,33)28-17-22(16-26(19-28)25-11-10-23-6-4-5-7-24(23)18-25)20-35-21-29(12-14-34-15-13-29)27-8-2-1-3-9-27/h1-11,16-19,34H,12-15,20-21H2
PubChem CID24783682
ChEMBLCHEMBL3596459
IUPHARN/A
BindingDB50106370
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50120.0 nMPMID26048800BindingDB

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