Reaction Details  Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50039118
Substrate
n/a
Meas. Tech.
ChEMBL_54131 (CHEMBL668671)
IC50
12±n/a nM
Citation
 Rosowsky, A; Bader, H; Wright, JE; Keyomarsi, K; Matherly, LH Synthesis and biological activity of N omega-hemiphthaloyl-alpha,omega- diaminoalkanoic acid analogues of aminopterin and 3',5-dichloroaminopterin. J Med Chem 37:2167-74 (1994) [PubMed]
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:
BDBM50039118
Synonyms:
CHEMBL42819 | N-(3-Carboxy-3-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-propyl)-phthalamic acid
Type:
Small organic molecule
Emp. Form.:
C26H25N9O6
Mol. Mass.:
559.5334
SMILES:
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCNC(=O)c3ccccc3C(O)=O)C(O)=O)cnc2n1
Structure:
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