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GPCR

NameSubstance-P receptor
SpeciesMus musculus (Mouse)
GeneTacr1
SynonymTAC1R
Substance P receptor
SPR
NK1R
NK1 receptor
[ Show all ]
DiseaseN/A for non-human GPCRs
Length407
Amino acid sequenceMDNVLPVDSDLFPNTSTNTSESNQFVQPTWQIVLWAAAYTVIVVTSVVGNVVVIWIILAHKRMRTVTNYFLVNLAFAEACMAAFNTVVNFTYAVHNVWYYGLFYCKFHNFFPIAALFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVIFVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNRTYEKAYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLASMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQSSVYKVSRLETTISTVVGAHEDEPEEGPKATPSSLDLTSNGSSRSNSKTMTESSSFYSNMLA
UniProtP30548
Protein Data BankN/A
GPCR-HGmod modelN/A
3D structure modelNo available structures or models
BioLiPN/A
Therapeutic Target DatabaseN/A
ChEMBLCHEMBL2668
IUPHARN/A
DrugBankN/A

Ligand

NameCHEMBL350151
Molecular formulaC35H44N6O3
IUPAC nameN-[1-[[2-(dimethylamino)acetyl]-[(2-methoxyphenyl)methyl]amino]-3-(1H-indol-3-yl)propan-2-yl]-2-(4-phenylpiperazin-1-yl)acetamide
Molecular weight596.776
Hydrogen bond acceptor6
Hydrogen bond donor2
XlogP4.4
SynonymsBDBM50049313
2-Dimethylamino-N-{3-(1H-indol-3-yl)-2-[2-(4-phenyl-piperazin-1-yl)-acetylamino]-propyl}-N-(2-methoxy-benzyl)-acetamide
Inchi KeyBPOJDIXXCVFYFB-UHFFFAOYSA-N
Inchi IDInChI=1S/C35H44N6O3/c1-38(2)26-35(43)41(23-27-11-7-10-16-33(27)44-3)24-29(21-28-22-36-32-15-9-8-14-31(28)32)37-34(42)25-39-17-19-40(20-18-39)30-12-5-4-6-13-30/h4-16,22,29,36H,17-21,23-26H2,1-3H3,(H,37,42)
PubChem CID10627355
ChEMBLCHEMBL350151
IUPHARN/A
BindingDB50049313
DrugBankN/A

Structure

SDF download

2D structure
Lipinski's druglikenessThis ligand is heavier than 500 daltons.

Experimental Data

ParameterValueReferenceDatabase source
IC50200.0 nMPMID8576917BindingDB,ChEMBL

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