Brief Information of the Compound and Protein
Compound Name
 Compound Info 
(2S)-2-{[4-(2-{2-amino-4-oxo-1H,4H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}ethyl)phenyl]formamido}pentanedioic acid
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 PubChem ID
CID: 135410875
SID: 14758615
Canonical SMILES
Nc1nc2[nH]cc(CCc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)c2c(=O)[nH]1
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Compound Formula C20H21N5O6
Compound Structure
Protein Name
 Protein Info 
Proton-coupled folate transporter
Protein Classification
Transporter
>
Electrochemical transporter
>
SLC superfamily of solute carriers
>
SLC46 family of folate transporters
Uniprot ID
Q96NT5
Gene Name
SLC46A1
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000330 CHO Pro-4 MtxRII OuaR-2-4
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  4
1
Ki = 94 nM
   TI
   LI
   LO
   TS
2
Ki = 96 nM
   TI
   LI
   LO
   TS
3
Ki = 1540 nM
   TI
   LI
   LO
   TS
4
Ki = 2540 nM
   TI
   LI
   LO
   TS
CL000853 HeLa R1-11
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 66.8 nM
   TI
   LI
   LO
   TS
CL000937 R2/PCFT4
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
IC50 = 13.2 nM
   TI
   LI
   LO
   TS
2
Ki = 94 nM
   TI
   LI
   LO
   TS
3
Ki = 259 nM
   TI
   LI
   LO
   TS