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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

NameCHEMBL152055
Molecular formulaC20H24N2
IUPAC name(2R,3R)-2-benzhydryl-1-azabicyclo[2.2.2]octan-3-amine
Molecular weight292.426
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP3.4
SynonymsBDBM50280459
SCHEMBL6135412
(2R,3R)-2-(2,2-Diphenyl-ethyl)-1-aza-bicyclo[2.2.2]oct-3-ylamine
ZINC27638445
Inchi KeyMECDCHFRZHLREI-WOJBJXKFSA-N
Inchi IDInChI=1S/C20H24N2/c21-19-17-11-13-22(14-12-17)20(19)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-20H,11-14,21H2/t19-,20-/m1/s1
PubChem CID12225562
ChEMBLCHEMBL152055
IUPHARN/A
BindingDB50280459
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand satisfies Lipinski's rule of five.

Experimental Data

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

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