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Target
Dihydrofolate reductase
Ligand
BDBM50028368
Substrate
n/a
Meas. Tech.
ChEBML_54894
IC50
4±n/a nM
Citation
 Nair, MG; Bridges, TW; Henkel, TJ; Kisliuk, RL; Gaumont, Y; Sirotnak, FM Folate analogues altered in the C9-N10 bridge region. 18. Synthesis and antitumor evaluation of 11-oxahomoaminopterin and related compounds. J Med Chem 24:1068-73 (1981) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_LACCA | dhfR | folA
Type:
PROTEIN
Mol. Mass.:
18437.08
Organism:
Lactobacillus casei
Description:
ChEMBL_1357878
Residue:
163
Sequence:
MTAFLWAQDRDGLIGKDGHLPWHLPDDLHYFRAQTVGKIMVVGRRTYESFPKRPLPERTNVVLTHQEDYQAQGAVVVHDVAAVFAYAKQHPDQELVIAGGAQIFTAFKDDVDTLLVTRLAGSFEGDTKMIPLNWDDFTKVSSRTVEDTNPALTHTYEVWQKKA
  
Inhibitor
Name:
BDBM50028368
Synonyms:
2-[4-(2,4-Diamino-pteridin-6-ylmethylsulfanyl)-benzoylamino]-pentanedioic acid | 2-[4-(2,4-Diamino-pteridin-6-ylmethylsulfanyl)-benzoylamino]-pentanedioic acid (10-Thioaminopterin) | CHEMBL10591
Type:
Small organic molecule
Emp. Form.:
C19H19N7O5S
Mol. Mass.:
457.463
SMILES:
Nc1nc(N)c2nc(CSc3ccc(cc3)C(=O)NC(CCC(O)=O)C(O)=O)cnc2n1
Structure:
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