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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

NameCHEMBL346626
Molecular formulaC29H33ClN2
IUPAC name(2R,3R)-2-benzhydryl-N-[3-(2-chlorophenyl)propyl]-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight445.047
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP6.8
Synonyms[3-(2-Chloro-phenyl)-propyl]-[(2R,3R)-2-(2,2-diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-yl]-amine
BDBM50280467
Inchi KeyRGXKBMFDOAFNBV-FQLXRVMXSA-N
Inchi IDInChI=1S/C29H33ClN2/c30-26-16-8-7-10-22(26)15-9-19-31-28-25-17-20-32(21-18-25)29(28)27(23-11-3-1-4-12-23)24-13-5-2-6-14-24/h1-8,10-14,16,25,27-29,31H,9,15,17-21H2/t28-,29-/m1/s1
PubChem CID15037921
ChEMBLCHEMBL346626
IUPHARN/A
BindingDB50280467
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC50<10000.0 nM, Bioorg. Med. Chem. Lett., (1992) 2:6:559BindingDB,ChEMBL
Ratio<9.0 -Bioorg. Med. Chem. Lett., (1992) 2:6:559ChEMBL

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