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Target
Dihydrofolate reductase
Ligand
BDBM50128540
Substrate
n/a
Meas. Tech.
ChEMBL_53161 (CHEMBL665670)
IC50
47±n/a nM
Citation
 Wyss, PC; Gerber, P; Hartman, PG; Hubschwerlen, C; Locher, H; Marty, HP; Stahl, M Novel dihydrofolate reductase inhibitors. Structure-based versus diversity-based library design and high-throughput synthesis and screening. J Med Chem 46:2304-12 (2003) [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:
BDBM50128540
Synonyms:
5-(1,3,4,9-Tetrahydro-beta-carbolin-2-ylmethyl)-pyrimidine-2,4-diamine | CHEMBL75944
Type:
Small organic molecule
Emp. Form.:
C16H18N6
Mol. Mass.:
294.3543
SMILES:
Nc1ncc(CN2CCc3c(C2)[nH]c2ccccc32)c(N)n1
Structure:
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