Ki Summary

Reaction Details

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Target

Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251]

Ligand

BDBM50338300

Substrate/Competitor

n/a

Meas. Tech.

ChEMBL_728028 (CHEMBL1686899)

IC50

6000±n/a nM

Citation

Cho, JY; Kwon, YJ; Sohn, MJ; Seok, SJ; Kim, WG Phellinstatin, a new inhibitor of enoyl-ACP reductase produced by the medicinal fungus Phellinus linteus. Bioorg Med Chem Lett21:1716-8 (2011) [PubMed] Article

More Info.:

Get all data from this article, Assay Method

Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251]

Name:

Enoyl-[acyl-carrier-protein] reductase [NADPH] FabI [9-251]

Synonyms:

Enoyl-ACP reductase | FABI_STAAR | fabI

Type:

PROTEIN

Mol. Mass.:

26446.66

Organism:

Staphylococcus aureus

Description:

ChEMBL_1455655

Residue:

243

Sequence:

YVIMGIANKRSIAFGVAKVLDQLGAKLVFTYRKERSRKELEKLLEQLNQPEAHLYQIDVQ
SDEEVINGFEQIGKDVGNIDGVYHSIAFANMEDLRGRFSETSREGFLLAQDISSYSLTIV
AHEAKKLMPEGGSIVATTYLGGEFAVQNYNVMGVAKASLEANVKYLALDLGPDNIRVNAI
SAGPIRTLSAKGVGGFNTILKEIEERAPLKRNVDQVEVGKTAAYLLSDLSSGVTGENIHV
DSG

BDBM50338300

n/a

Name

BDBM50338300

Synonyms:

CHEMBL1682259 | phellinstatin

Type

Small organic molecule

Emp. Form.

C39H26O15

Mol. Mass.

734.6147

SMILES

Oc1cc(oc(=O)c1)[C@@H]1[C@H](Oc2cc(\C=C\c3cc(O)c(O)cc3-c3c(O)cc(\C=C\c4ccc(O)c(O)c4)oc3=O)oc(=O)c12)c1ccc(O)c(O)c1 |r,wU:8.8,wD:9.51,(-3.09,.5,;-1.55,.47,;-.81,-.89,;.72,-.91,;1.53,.41,;.78,1.75,;1.59,3.07,;-.76,1.79,;1.47,-2.26,;.55,-3.5,;1.46,-4.75,;2.92,-4.29,;4.25,-5.07,;5.59,-4.3,;6.92,-5.07,;8.25,-4.3,;9.58,-5.06,;10.92,-4.3,;12.25,-5.06,;13.59,-4.29,;12.26,-6.61,;13.59,-7.38,;10.92,-7.38,;9.58,-6.61,;7.48,-7.73,;6.17,-6.92,;6.11,-5.65,;4.82,-7.66,;4.79,-9.21,;3.44,-9.95,;2.12,-9.15,;.77,-9.89,;-.54,-9.09,;-1.88,-9.83,;-1.92,-11.37,;-3.27,-12.11,;-.59,-12.17,;-.62,-13.71,;.75,-11.42,;6.12,-10.01,;7.46,-9.26,;8.78,-10.06,;5.59,-2.75,;4.26,-1.98,;4.26,-.44,;2.93,-2.74,;-.98,-3.49,;-1.76,-4.81,;-3.3,-4.81,;-4.06,-3.47,;-5.61,-3.45,;-3.28,-2.14,;-4.04,-.79,;-1.74,-2.15,)|

Structure