Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18510
Substrate
BDBM18044
Meas. Tech.
In Vitro Inhibition Assay
pH
7±n/a
Temperature
298.15±n/a K
IC50
73730±13100 nM
Citation
 Joska, TM; Anderson, AC Structure-activity relationships of Bacillus cereus and Bacillus anthracis dihydrofolate reductase: toward the identification of new potent drug leads. Antimicrob Agents Chemother 50:3435-43 (2006) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
19144.66
Organism:
Bacillus cereus (ATCC 14579)
Description:
Q81E04
Residue:
162
Sequence:
MIVSFMVAMDENRVIGKDNNLPWRLPSELQYVKKTTMGHPLIMGRKNYEAIGRPLPGRRNIIVTRNEGYHVEGCEVVHSVEEVFELCKNEEEIFIFGGAQIYDLFLPYVDKLYITKIHHAFEGDTFFPEIDMTNWKEIFVEKGLTDEKNPYTYYYHVYEKQQ
  
Inhibitor
Name:
BDBM18510
Synonyms:
5-{3-[(2,4-diaminopyrimidin-5-yl)methyl]-4-methoxyphenoxy}pentanoic acid | CHEMBL37520 | Diaminopyrimidine, 22
Type:
Small organic molecule
Emp. Form.:
C17H22N4O4
Mol. Mass.:
346.381
SMILES:
COc1ccc(OCCCCC(O)=O)cc1Cc1cnc(N)nc1N
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: