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 
Dihydrofolate reductase
Protein Classification
Enzyme
>
Oxidoreductase
Uniprot ID
P00374
Gene Name
DHFR
Table of Molecular Bioactivities Related to the Compound and Protein
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000220 KB
 Cell Line Info 
Homo sapiens (Human)  2
1
IC50 = 68 nM
   TI
   LI
   LO
   TS
2
IC50 = 327 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1400 nM
2 IC50 = 1500 nM
3 IC50 = 2300 nM
4 IC50 = 6600 nM
5 IC50 = 66000 nM
6 Ki = 7 nM
7 Ki = 7.2 nM