| Reaction Details |
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 | Report a problem with these data |
| Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Ligand | BDBM50600679 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2234683 (CHEMBL5148455) |
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| IC50 | 10.0±n/a nM |
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| 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 |
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| More Info.: | Get all data from this article, Assay Method |
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| Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Name: | Bifunctional dihydrofolate reductase-thymidylate synthase |
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| Synonyms: | Tb07.10C21.550 |
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| Type: | PROTEIN |
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| Mol. Mass.: | 58861.79 |
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| Organism: | Trypanosoma brucei brucei (strain 927/4 GUTat10.1) |
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| Description: | ChEMBL_101128 |
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| Residue: | 527 |
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| Sequence: | MLSLTRILRKKIPVHELAGKISRPPLRPFSVVVASDEKGGIGDGGTIPWEIPEDMQYFRR
VTTNLRGKNVKPSPSKRNAVVMGRKTWDSLPPKFRPLSNRLNVVLSRSATKEQLLAGIPD
PIKRAEAANDVVAVNGGLEDALRMLVSKEHTSSIETVFCIGGGTIYKQALCAPCVNVLQA
IHRTVVRPASNSCSVFFDIPAAGTKTLEGLELVRESITDERVSTGAGGKKYQFEKLVPRN
SEEEQYLNLVGRIIDEGCTKCDRTGVGTRSLFGAQMRFSLRNNRLPLLTTKRVFWRGVCE
ELLWFLRGETNAKLLSDKGIHIWDGNGSRAFLDSRGLTDYDEMDLGPVYGFQWRHFGADY
ISCKEDSEGKGVDQIANIVKSLIENPDDRRMICTAWNPAALPRMALPPCHMMAQFYVSNG
ELSCMLYQRSCDMGLGVPFNIASYALLTFLMAKASGLRPGELVHTLGDAHVYSNHVEPCR
KQLKRVPRPFPFIVFKQDKEFLEDFQESDIEVIDYSPYPVISMEMAV
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| BDBM50600679 |
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| n/a |
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| Name | BDBM50600679 |
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| Synonyms: | CHEMBL426 | Methotrexate | TCMDC-123832 | TCMDC-125488 | TCMDC-125858 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22N8O5 |
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| Mol. Mass. | 454.4393 |
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| SMILES | CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(cc1)C(=O)NC(CCC(O)=O)C(O)=O |
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| Structure | 
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