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Target
Dihydrofolate reductase
Ligand
BDBM18069
Substrate
BDBM18044
Meas. Tech.
Enzyme Inhibition Assay
pH
7±n/a
Temperature
303.15±n/a K
Ki
240±n/a nM
IC50
3000±500 nM
Comments
MIC=0.06 ug/mL.
Citation
 MUKHIJA, S; BANDERA, M; PARISI, S; RIGO, S; LIEB, S; LOCIURO, S; GILLESSEN, D; ISLAM, K AR-709-An Investigational diaminopyrimidine: Inhibition, Binding and Mode of Action. Interscience Conference on Antimicrobial Agents in Chemotherapy 0:1-1 (2006)   
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_STRPN | Dihydrofolate Reductase (DHFR) | Tetrahydrofolate dehydrogenase | dfr | dhfR
Type:
Enzyme
Mol. Mass.:
19700.70
Organism:
Streptococcus pneumoniae
Description:
n/a
Residue:
168
Sequence:
MTKKIVAIWAQDEEGVIGKENRLPWHLPAELQHFKETTLNHAILMGRVTFDGMGRRLLPKRETLILTRNPEEKIDGVATFQDVQSVLDWYQAQEKNLYIIGGKQIFQAFEPYLDEVIVTHIHARVEGDTYFPEELDLSLFETVSSKFYAKDEKNPYDFTIQYRKRKEV
  
Inhibitor
Name:
BDBM18069
Synonyms:
5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine | CHEMBL22 | TMP | Trimethoprim | Trimethoprim (TMP) | US10870625, Compound TMP
Type:
Small organic molecule
Emp. Form.:
C14H18N4O3
Mol. Mass.:
290.3177
SMILES:
COc1cc(Cc2cnc(N)nc2N)cc(OC)c1OC
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: