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Target
Dihydrofolate reductase
Ligand
BDBM50051922
Substrate
n/a
Meas. Tech.
ChEMBL_54116 (CHEMBL668274)
IC50
320±n/a nM
Citation
 Gangjee, A; Vasudevan, A; Queener, SF; Kisliuk, RL 2,4-diamino-5-deaza-6-substituted pyrido[2,3-d]pyrimidine antifolates as potent and selective nonclassical inhibitors of dihydrofolate reductases. J Med Chem 39:1438-46 (1996) [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:
BDBM50051922
Synonyms:
(R)-4-Amino-5-{4-[(2,4-diamino-pyrido[2,3-d]pyrimidin-6-ylamino)-methyl]-benzoylamino}-5-oxo-pentanoic acid | CHEMBL33045
Type:
Small organic molecule
Emp. Form.:
C20H22N8O4
Mol. Mass.:
438.4399
SMILES:
N[C@H](CCC(O)=O)C(=O)NC(=O)c1ccc(CNc2cnc3nc(N)nc(N)c3c2)cc1
Structure:
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