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Target
Dihydrofolate reductase
Ligand
BDBM18266
Substrate
BDBM18044
Meas. Tech.
Dihydrofolate Reductase (DHFR) Assay
IC50
690±n/a nM
Citation
 Gangjee, A; Zeng, Y; Talreja, T; McGuire, JJ; Kisliuk, RL; Queener, SF Design and Synthesis of Classical and Nonclassical 6-Arylthio-2,4-diamino-5-ethylpyrrolo[2,3-d]pyrimidines as Antifolates. J Med Chem 50:3046-3053 (2007) [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:
BDBM18266
Synonyms:
6-[(4-methoxyphenyl)sulfanyl]-5-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine | CHEMBL123892 | Pyrrolo[2, 3-d]pyrimidine analogue, 1g
Type:
Small organic molecule
Emp. Form.:
C14H15N5OS
Mol. Mass.:
301.367
SMILES:
COc1ccc(Sc2[nH]c3nc(N)nc(N)c3c2C)cc1
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:
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