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Target
Dihydrofolate reductase
Ligand
BDBM18225
Substrate
BDBM18044
Meas. Tech.
Determination of IC50
IC50
0.26±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:
BDBM18225
Synonyms:
2,4-diamino-5-deazapteridine, 4 | 4-[3-({2,4-diamino-5-methylpyrido[2,3-d]pyrimidin-6-yl}methyl)-4-methoxyphenoxy]butanoic acid | Piritrexim analogue, 6 | pyrido[2,3-d]pyrimidine analogue
Type:
Small organic molecule
Emp. Form.:
C20H23N5O4
Mol. Mass.:
397.4277
SMILES:
COc1ccc(OCCCC(O)=O)cc1Cc1cnc2nc(N)nc(N)c2c1C
Structure:
Search PDB for entries with ligand similarity:
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: