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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Biotin carboxylase | ||
| Ligand | BDBM50528526 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1905195 (CHEMBL4407553) | ||
| IC50 | 33±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: |
| ||
| BDBM50528526 | |||
| n/a | |||
| Name | BDBM50528526 | ||
| Synonyms: | CHEMBL4518489 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H16Cl2N6 | ||
| Mol. Mass. | 387.266 | ||
| SMILES | [H][C@@]12CN(C[C@]1([H])[C@H]2N)c1nc2nc(N)ncc2cc1-c1c(Cl)cccc1Cl |r,wU:7.9,5.6,1.0,(7.68,-40.79,;8.85,-41.8,;9.56,-40.43,;11.08,-40.68,;11.31,-42.2,;9.94,-42.89,;10.94,-44.05,;8.44,-43.29,;7.35,-44.37,;12.18,-39.59,;13.51,-40.36,;14.85,-39.59,;16.18,-40.35,;17.51,-39.58,;18.85,-40.34,;17.5,-38.03,;16.17,-37.27,;14.84,-38.04,;13.51,-37.28,;12.18,-38.05,;10.86,-37.28,;10.86,-35.74,;12.19,-34.98,;9.53,-34.97,;8.19,-35.74,;8.2,-37.29,;9.53,-38.05,;9.57,-39.49,)| | ||
| Structure | 
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