Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50120979
Substrate
n/a
Meas. Tech.
ChEMBL_54110 (CHEMBL668440)
IC50
5400±n/a nM
Citation
 Gangjee, A; Zeng, Y; McGuire, JJ; Kisliuk, RL Synthesis of classical and nonclassical, partially restricted, linear, tricyclic 5-deaza antifolates. J Med Chem 45:5173-81 (2002) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DHFR | DYR_HUMAN | Dihydrofolate reductase (DHFR) | Tetrahydrofolate dehydrogenase
Type:
Enzyme
Mol. Mass.:
21453.99
Organism:
Homo sapiens (Human)
Description:
Recombinant human DHFR.
Residue:
187
Sequence:
MVGSLNCIVAVSQNMGIGKNGDLPWPPLRNEFRYFQRMTTTSSVEGKQNLVIMGKKTWFSIPEKNRPLKGRINLVLSRELKEPPQGAHFLSRSLDDALKLTEQPELANKVDMVWIVGGSSVYKEAMNHPGHLKLFVTRIMQDFESDTFFPEIDLEKYKLLPEYPGVLSDVQEEKGIKYKFEVYEKND
  
Inhibitor
Name:
BDBM50120979
Synonyms:
2-[4-(2,4-Diamino-7,8-dihydro-5H-1,3,6,9-tetraaza-anthracen-6-ylmethyl)-benzoylamino]-pentanedioic acid | CHEMBL422316
Type:
Small organic molecule
Emp. Form.:
C23H25N7O5
Mol. Mass.:
479.4885
SMILES:
Nc1nc(N)c2cc3CN(Cc4ccc(cc4)C(=O)N[C@@H](CCC(O)=O)C(O)=O)CCc3nc2n1
Structure:
Search PDB for entries with ligand similarity: