Reaction Details |
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Target | Bifunctional dihydrofolate reductase-thymidylate synthase |
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Ligand | BDBM50600699 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_2234683 (CHEMBL5148455) |
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IC50 | 100000±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 |
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
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BDBM50600699 |
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n/a |
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Name | BDBM50600699 |
Synonyms: | CHEMBL5180685 |
Type | Small organic molecule |
Emp. Form. | C23H25N7O4 |
Mol. Mass. | 463.4891 |
SMILES | COc1cc(Oc2ccc(CNCc3cnc4nc(N)nc(N)c4n3)cc2)cc(OC)c1OC |
Structure |
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