Reaction Details |
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Target | Dihydrofolate reductase |
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Ligand | BDBM50128540 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_53146 (CHEMBL665866) |
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IC50 | 7800±n/a nM |
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Citation | Wyss, PC; Gerber, P; Hartman, PG; Hubschwerlen, C; Locher, H; Marty, HP; Stahl, M Novel dihydrofolate reductase inhibitors. Structure-based versus diversity-based library design and high-throughput synthesis and screening. J Med Chem46:2304-12 (2003) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Dihydrofolate reductase |
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Name: | Dihydrofolate reductase |
Synonyms: | DYR_STAAW | folA |
Type: | PROTEIN |
Mol. Mass.: | 18232.79 |
Organism: | Staphylococcus aureus (strain MW2) |
Description: | ChEMBL_53146 |
Residue: | 159 |
Sequence: | MTLSILVAHDLQRVIGFENQLPWHLPNDLKHVKKLSTGHTLVMGRKTFESIGKPLPNRRN
VVLTSDTSFNVVGVDVIHSIEDIYQLPGHVFIFGGQILFEEMIDKVDDMYITVIEGKFRG
DTFFPPYTFEDWEVASSVEGKLDEKNTIPHTFLHLIRKK
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BDBM50128540 |
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n/a |
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Name | BDBM50128540 |
Synonyms: | 5-(1,3,4,9-Tetrahydro-beta-carbolin-2-ylmethyl)-pyrimidine-2,4-diamine | CHEMBL75944 |
Type | Small organic molecule |
Emp. Form. | C16H18N6 |
Mol. Mass. | 294.3543 |
SMILES | Nc1ncc(CN2CCc3c(C2)[nH]c2ccccc32)c(N)n1 |
Structure |
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