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Target
Dihydrofolate reductase
Ligand
BDBM50092656
Substrate
n/a
Meas. Tech.
ChEMBL_53963 (CHEMBL669449)
IC50
3100±n/a nM
Citation
 Graffner-Nordberg, M; Marelius, J; Ohlsson, S; Persson, A; Swedberg, G; Andersson, P; Andersson, SE; Aqvist, J; Hallberg, A Computational predictions of binding affinities to dihydrofolate reductase: synthesis and biological evaluation of methotrexate analogues. J Med Chem 43:3852-61 (2000) [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:
BDBM50092656
Synonyms:
2-[4-(2,4-Diamino-pteridin-6-ylmethoxycarbonyl)-benzoylamino]-pentanedioic acid | CHEMBL327066
Type:
Small organic molecule
Emp. Form.:
C20H19N7O7
Mol. Mass.:
469.4076
SMILES:
Nc1nc(N)c2nc(COC(=O)c3ccc(cc3)C(=O)N[C@@H](CCC(O)=O)C(O)=O)cnc2n1
Structure:
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