| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
|---|
| Ligand | BDBM50600702 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_2234683 (CHEMBL5148455) |
|---|
| IC50 | 230±n/a nM |
|---|
| Citation |  Pöhner, I; Quotadamo, A; Panecka-Hofman, J; Luciani, R; Santucci, M; Linciano, P; Landi, G; Di Pisa, F; Dello Iacono, L; Pozzi, C; Mangani, S; Gul, S; Witt, G; Ellinger, B; Kuzikov, M; Santarem, N; Cordeiro-da-Silva, A; Costi, MP; Venturelli, A; Wade, RC Multitarget, Selective Compound Design Yields Potent Inhibitors of a Kinetoplastid Pteridine Reductase 1. J Med Chem65:9011-9033 (2022) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Bifunctional dihydrofolate reductase-thymidylate synthase |
|---|
| Name: | Bifunctional dihydrofolate reductase-thymidylate synthase |
|---|
| Synonyms: | Tb07.10C21.550 |
|---|
| Type: | PROTEIN |
|---|
| Mol. Mass.: | 58861.79 |
|---|
| Organism: | Trypanosoma brucei brucei (strain 927/4 GUTat10.1) |
|---|
| Description: | ChEMBL_101128 |
|---|
| Residue: | 527 |
|---|
| Sequence: | MLSLTRILRKKIPVHELAGKISRPPLRPFSVVVASDEKGGIGDGGTIPWEIPEDMQYFRR
VTTNLRGKNVKPSPSKRNAVVMGRKTWDSLPPKFRPLSNRLNVVLSRSATKEQLLAGIPD
PIKRAEAANDVVAVNGGLEDALRMLVSKEHTSSIETVFCIGGGTIYKQALCAPCVNVLQA
IHRTVVRPASNSCSVFFDIPAAGTKTLEGLELVRESITDERVSTGAGGKKYQFEKLVPRN
SEEEQYLNLVGRIIDEGCTKCDRTGVGTRSLFGAQMRFSLRNNRLPLLTTKRVFWRGVCE
ELLWFLRGETNAKLLSDKGIHIWDGNGSRAFLDSRGLTDYDEMDLGPVYGFQWRHFGADY
ISCKEDSEGKGVDQIANIVKSLIENPDDRRMICTAWNPAALPRMALPPCHMMAQFYVSNG
ELSCMLYQRSCDMGLGVPFNIASYALLTFLMAKASGLRPGELVHTLGDAHVYSNHVEPCR
KQLKRVPRPFPFIVFKQDKEFLEDFQESDIEVIDYSPYPVISMEMAV
|
|
|
|---|
| BDBM50600702 |
|---|
| n/a |
|---|
| Name | BDBM50600702 |
|---|
| Synonyms: | CHEMBL5199171 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C24H30N8O3 |
|---|
| Mol. Mass. | 478.5468 |
|---|
| SMILES | CCOC(=O)C1CCN(CC1)C(=O)c1ccc(cc1)N(CC)Cc1cnc2nc(N)nc(N)c2n1 |
|---|
| Structure | 
|
|---|
Search and Browse
