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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

NameCHEMBL59310
Molecular formulaC26H29NO2
IUPAC nameN-[3-[(3,5-dimethylphenyl)methoxy]-1,1-diphenylpropan-2-yl]acetamide
Molecular weight387.523
Hydrogen bond acceptor2
Hydrogen bond donor1
XlogP5.1
SynonymsN-[1-(3,5-Dimethyl-benzyloxymethyl)-2,2-diphenyl-ethyl]-acetamide
SCHEMBL8923781
BDBM50282936
Inchi KeyADILVWNDEWPECX-UHFFFAOYSA-N
Inchi IDInChI=1S/C26H29NO2/c1-19-14-20(2)16-22(15-19)17-29-18-25(27-21(3)28)26(23-10-6-4-7-11-23)24-12-8-5-9-13-24/h4-16,25-26H,17-18H2,1-3H3,(H,27,28)
PubChem CID21753665
ChEMBLCHEMBL59310
IUPHARN/A
BindingDB50282936
DrugBankN/A

Structure

SDF download

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

Experimental Data

ParameterValueReferenceDatabase source
IC5021.0 nM, Bioorg. Med. Chem. Lett., (1994) 4:16:1903BindingDB,ChEMBL

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