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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

NameCHEMBL3596448
Molecular formulaC21H22F3N5O2
IUPAC name(2S,3S)-3-[[2-methoxy-5-[5-(trifluoromethyl)tetrazol-1-yl]phenyl]methoxy]-2-phenylpiperidine
Molecular weight433.435
Hydrogen bond acceptor9
Hydrogen bond donor1
XlogP3.4
SynonymsN/A
Inchi KeyMZXKMPCJVWNMRA-OALUTQOASA-N
Inchi IDInChI=1S/C21H22F3N5O2/c1-30-17-10-9-16(29-20(21(22,23)24)26-27-28-29)12-15(17)13-31-18-8-5-11-25-19(18)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,18-19,25H,5,8,11,13H2,1H3/t18-,19-/m0/s1
PubChem CID122182823
ChEMBLCHEMBL3596448
IUPHARN/A
BindingDB50108639
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC500.03 nMPMID26048800BindingDB

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