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GPCR

NameSubstance-P receptor
SpeciesHomo sapiens (Human)
GeneTACR1
SynonymNK-1 receptor
Tachykinin receptor 1
TAC1R
SPR
Substance P receptor
[ Show all ]
DiseaseCough
Depression
Depression; Anxiety
Diabetes
Eczema
[ Show all ]
Length407
Amino acid sequenceMDNVLPVDSDLSPNISTNTSEPNQFVQPAWQIVLWAAAYTVIVVTSVVGNVVVMWIILAHKRMRTVTNYFLVNLAFAEASMAAFNTVVNFTYAVHNEWYYGLFYCKFHNFFPIAAVFASIYSMTAVAFDRYMAIIHPLQPRLSATATKVVICVIWVLALLLAFPQGYYSTTETMPSRVVCMIEWPEHPNKIYEKVYHICVTVLIYFLPLLVIGYAYTVVGITLWASEIPGDSSDRYHEQVSAKRKVVKMMIVVVCTFAICWLPFHIFFLLPYINPDLYLKKFIQQVYLAIMWLAMSSTMYNPIIYCCLNDRFRLGFKHAFRCCPFISAGDYEGLEMKSTRYLQTQGSVYKVSRLETTISTVVGAHEEEPEDGPKATPSSLDLTSNCSSRSDSKTMTESFSFSSNVLS
UniProtP25103
Protein Data Bank2ksa, 6e59, 6hlo, 2ks9, 6hlp, 6hll, 2ksb
GPCR-HGmod modelP25103
3D structure modelThis structure is from PDB ID 2ksa.
BioLiPBL0101802, BL0437915, BL0437914, BL0437913, BL0434896, BL0101803, BL0101801
Therapeutic Target DatabaseT47094
ChEMBLCHEMBL249
IUPHAR360
DrugBankBE0000384

Ligand

NameCHEMBL2333642
Molecular formulaC19H19ClF4N2O
IUPAC name2-chloro-6-[[4-(4-fluorophenyl)piperidin-4-yl]methoxymethyl]-4-(trifluoromethyl)pyridine
Molecular weight402.818
Hydrogen bond acceptor7
Hydrogen bond donor1
XlogP4.3
SynonymsBDBM50428787
SCHEMBL4185354
Inchi KeyAPJYAVYSAZEVQB-UHFFFAOYSA-N
Inchi IDInChI=1S/C19H19ClF4N2O/c20-17-10-14(19(22,23)24)9-16(26-17)11-27-12-18(5-7-25-8-6-18)13-1-3-15(21)4-2-13/h1-4,9-10,25H,5-8,11-12H2
PubChem CID24801101
ChEMBLCHEMBL2333642
IUPHARN/A
BindingDB50428787
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5029.0 nMPMID23253443BindingDB,ChEMBL

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