Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50320793
Substrate
n/a
Meas. Tech.
ChEMBL_639166 (CHEMBL1167427)
Ki
13±n/a nM
Citation
 Schormann, N; Velu, SE; Murugesan, S; Senkovich, O; Walker, K; Chenna, BC; Shinkre, B; Desai, A; Chattopadhyay, D Synthesis and characterization of potent inhibitors of Trypanosoma cruzi dihydrofolate reductase. Bioorg Med Chem 18:4056-66 (2010) [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:
BDBM50320793
Synonyms:
CHEMBL1165305 | Methyl5-(5-[(2,4-diamino-6-quinazolinyl)methyl]amino-2-methoxyphenoxy)pentanoate
Type:
Small organic molecule
Emp. Form.:
C22H27N5O4
Mol. Mass.:
425.4809
SMILES:
COC(=O)CCCCOc1cc(NCc2ccc3nc(N)nc(N)c3c2)ccc1OC
Structure:
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