Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM18506
Substrate
BDBM18044
Meas. Tech.
In Vitro Inhibition Assay
pH
7±n/a
Temperature
298.15±n/a K
IC50
16670±330 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:
BDBM18506
Synonyms:
6-{2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,6,9,12,14-heptaen-2-ylmethyl}pteridine-2,4-diamine | CHEMBL301769 | Pteridine compound, 17
Type:
Small organic molecule
Emp. Form.:
C21H17N7
Mol. Mass.:
367.4066
SMILES:
Nc1nc(N)c2nc(CN3c4ccccc4C=Cc4ccccc34)cnc2n1 |c:17|
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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