Brief Information of the Compound and Protein
Compound Name
N-(2,2-dimethylpropyl)-4-[(3R)-3-[methyl(tritritiomethyl)amino]pyrrolidin-1-yl]pyrimidin-2-amine;2,2,2-trifluoroacetic acid
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PubChem ID
CID: 155539458
Canonical SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.[3H]C([3H])([3H])N(C)[C@@H]1CCN(C1)c1ccnc(NCC(C)(C)C)n1
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Compound Formula C19H29F6N5O4
Compound Structure
Protein Name
Histamine H4 receptor
Protein Classification
Membrane receptor
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Family A G protein-coupled receptor
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Small molecule receptor (family A GPCR)
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Monoamine receptor
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Histamine receptor
Uniprot ID
Q91ZY1
Gene Name
HRH4
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000025 HEK-293T Homo sapiens (Human)  1
1
EC50 = 158.49 nM
   TI
   LI
   LO
   TS
CL000909 HEK293T-SF-His6-CRE-Luc Homo sapiens (Human)  4
1
Kd = 21.8 nM
   TI
   LI
   LO
   TS
2
Kd = 22.2 nM
   TI
   LI
   LO
   TS
3
Kd = 34 nM
   TI
   LI
   LO
   TS
4
Ki = 1949.84 nM
   TI
   LI
   LO
   TS
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
EC50 = 50118.72 nM
   TI
   LI
   LO
   TS