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Target
Dihydrofolate reductase
Ligand
BDBM18224
Substrate
BDBM18044
Meas. Tech.
Determination of IC50
IC50
0.61±n/a nM
Citation
 Chan, DC; Fu, H; Forsch, RA; Queener, SF; Rosowsky, A Design, synthesis, and antifolate activity of new analogues of piritrexim and other diaminopyrimidine dihydrofolate reductase inhibitors with omega-carboxyalkoxy or omega-carboxy-1-alkynyl substitution in the side chain. J Med Chem 48:4420-31 (2005) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
19884.75
Organism:
Mycobacterium avium
Description:
Recombinant Mycobacterium avium DHFR expressed in E. coli.
Residue:
181
Sequence:
MTRAEVGLVWAQSTSGVIGRGGDIPWSVPEDLTRFKEVTMGHTVIMGRRTWESLPAKVRPLPGRRNVVVSRRPDFVAEGARVAGSLEAALAYAGSDPAPWVIGGAQIYLLALPHATRCEVTEIEIDLRRDDDDALAPALDDSWVGETGEWLASRSGLRYRFHSYRRDPRSSVRGCSPSRPS
  
Inhibitor
Name:
BDBM18224
Synonyms:
6-[(2,5-dimethoxyphenyl)methyl]-5-methylpyrido[2,3-d]pyrimidine-2,4-diamine | CHEMBL7492 | PTX | Piritrexim | [2-amino-6-(2,5-dimethoxybenzyl)-5-methyl-pyrido[2,3-d]pyrimidin-4-yl]amine;2-hydroxyethanesulfonic acid
Type:
Small organic molecule
Emp. Form.:
C17H19N5O2
Mol. Mass.:
325.3651
SMILES:
COc1ccc(OC)c(Cc2cnc3nc(N)nc(N)c3c2C)c1
Structure:
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Substrate
Name:
BDBM18044
Synonyms:
(2S)-2-[(4-{[(2-amino-4-oxo-1,4,7,8-tetrahydropteridin-6-yl)methyl]amino}phenyl)formamido]pentanedioic acid | (S)-2-{4-[(2-Amino-4-hydroxy-7,8-dihydro-pteridin-6-ylmethyl)-amino]-benzoylamino}-pentanedioic acid | dihydrofolic acid
Type:
Small organic molecule
Emp. Form.:
C19H21N7O6
Mol. Mass.:
443.4133
SMILES:
Nc1nc2NCC(CNc3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)=Nc2c(=O)[nH]1 |c:27|
Structure:
Search PDB for entries with ligand similarity: