Reaction Details Report a problem with these data
Target
Dihydrofolate reductase
Ligand
BDBM50023893
Substrate
n/a
Meas. Tech.
ChEMBL_53887 (CHEMBL668914)
IC50
100±n/a nM
Citation
 Rosowsky, A; Bader, H; Radike-Smith, M; Cucchi, CA; Wick, MM; Freisheim, JH Methotrexate analogues. 28. Synthesis and biological evaluation of new gamma-monoamides of aminopterin and methotrexate. J Med Chem 29:1703-9 (1986) [PubMed]  Article 
Target
Name:
Dihydrofolate reductase
Synonyms:
DYR_MOUSE | Dhfr
Type:
Enzyme
Mol. Mass.:
21608.82
Organism:
Mus musculus (Mouse)
Description:
n/a
Residue:
187
Sequence:
MVRPLNCIVAVSQNMGIGKNGDLPWPPLRNEFKYFQRMTTTSSVEGKQNLVIMGRKTWFSIPEKNRPLKDRINIVLSRELKEPPRGAHFLAKSLDDALRLIEQPELASKVDMVWIVGGSSVYQEAMNQPGHLRLFVTRIMQEFESDTFFPEIDLGKYKLLPEYPGVLSEVQEEKGIKYKFEVYEKKD
  
Inhibitor
Name:
BDBM50023893
Synonyms:
4-(Adamantan-1-ylcarbamoyl)-2-{4-[(2,4-diamino-pteridin-6-ylmethyl)-amino]-benzoylamino}-butyric acid | CHEMBL45572
Type:
Small organic molecule
Emp. Form.:
C29H35N9O4
Mol. Mass.:
573.6461
SMILES:
Nc1nc(N)c2nc(CNc3ccc(cc3)C(=O)NC(CCC(=O)N[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)C(O)=O)cnc2n1 |THB:30:29:26:31.33.32,30:31:26:29.34.28|
Structure:
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