Brief Information of the Compound and Protein
Compound Name
 Compound Info 
2-[[4-carboxy-4-[[4-[(2,4-diaminopteridin-6-yl)methylamino]benzoyl]amino]butyl]carbamoyl]benzoic acid
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 PubChem ID
CID: 360682
SID: 14935581
Canonical SMILES
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCCNC(=O)c3ccccc3C(O)=O)C(O)=O)cnc2n1
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Compound Formula C27H27N9O6
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
CL000108 CCRF-CEM
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 1.1 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 12.2 nM