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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Biotin carboxylase | ||
| Ligand | BDBM50528519 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1905195 (CHEMBL4407553) | ||
| IC50 | 36±n/a nM | ||
| Citation |  Andrews, LD; Kane, TR; Dozzo, P; Haglund, CM; Hilderbrandt, DJ; Linsell, MS; Machajewski, T; McEnroe, G; Serio, AW; Wlasichuk, KB; Neau, DB; Pakhomova, S; Waldrop, GL; Sharp, M; Pogliano, J; Cirz, RT; Cohen, F Optimization and Mechanistic Characterization of Pyridopyrimidine Inhibitors of Bacterial Biotin Carboxylase. J Med Chem62:7489-7505 (2019) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Biotin carboxylase | |||
| Name: | Biotin carboxylase | ||
| Synonyms: | 6.3.4.14 | 6.4.1.2 | ACC | ACCC_PSEAE | Acetyl-CoA carboxylase subunit A | Biotin carboxylase | accC | fabG | fabG | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 48885.33 | ||
| Organism: | Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM14847 / LMG 12228 / 1C / PRS 101 / PAO1) | ||
| Description: | ChEMBL_118971 | ||
| Residue: | 449 | ||
| Sequence: |
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| BDBM50528519 | |||
| n/a | |||
| Name | BDBM50528519 | ||
| Synonyms: | CHEMBL4530311 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H13ClN6 | ||
| Mol. Mass. | 348.789 | ||
| SMILES | Nc1ncc2cc(c(N)nc2n1)-c1c(Cl)cccc1-c1cccnc1 |(16.78,-11.99,;15.44,-11.22,;15.43,-9.67,;14.1,-8.91,;12.77,-9.69,;11.43,-8.92,;10.1,-9.69,;10.1,-11.24,;8.76,-12.23,;11.44,-12.01,;12.77,-11.23,;14.11,-12,;8.77,-8.92,;7.44,-9.69,;7.45,-11.23,;6.11,-8.93,;6.1,-7.38,;7.44,-6.61,;8.77,-7.38,;10.1,-6.61,;10.1,-5.08,;11.43,-4.3,;12.77,-5.07,;12.77,-6.62,;11.43,-7.39,)| | ||
| Structure | 
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