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Target
Dihydrofolate reductase
Ligand
BDBM50203230
Substrate
n/a
Meas. Tech.
ChEMBL_1624961 (CHEMBL3867373)
IC50
>10000±n/a nM
Citation
 Welsch, ME; Zhou, J; Gao, Y; Yan, Y; Porter, G; Agnihotri, G; Li, Y; Lu, H; Chen, Z; Thomas, SB Discovery of Potent and Selective Leads against ACS Med Chem Lett 7:1124-1129 (2016) [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:
BDBM50203230
Synonyms:
CHEMBL3940818
Type:
Small organic molecule
Emp. Form.:
C23H23N7O
Mol. Mass.:
413.475
SMILES:
Cc1nc(N)nc(N)c1C(=O)N1CCN(CC1)c1cccc(c1)-c1cccc(c1)C#N
Structure:
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