Ki Summary

Reaction Details

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Target

Phosphotransferase

Ligand

BDBM47024

Substrate/Competitor

n/a

Meas. Tech.

HTS assay for inhibitors of Trypanosoma brucei hexokinase 1: IC50 determinations

IC50

4531.782536±n/a nM

Citation

PubChem, PC HTS assay for inhibitors of Trypanosoma brucei hexokinase 1: IC50 determinations PubChem Bioassay(2009)[AID]

More Info.:

Get all data from this article, Solution Info, Assay Method

Phosphotransferase

Name:

Phosphotransferase

Synonyms:

hexokinase

Type:

Enzyme Catalytic Domain

Mol. Mass.:

51160.00

Organism:

Trypanosoma brucei

Description:

gi_70832125

Residue:

471

Sequence:

MSRRLNNILEHISIQGNDGETVRAVKRDVAMAALTNQFTMSVESMRQIMTYLLYEMVEGL
EGRESTVRMLPSYVYKADPKRATGVFYALDLGGTNFRVLRVACKEGAVVDSSTSAFKIPK
YALEGNATDLFDFIASNVKKTMETRAPEDLNRTVPLGFTFSFPVEQTKVNRGVLIRWTKG
FSTKGVQGNDVIALLQAAFGRVSLKVNVVALCNDTVATMISHYFKDPEVQVGVIIGTGSN
ACYFETASAVTKDPAVAARGSALTPISMESGNFDSKYRFVLPTTKFDLDIDDASLNKGQQ
ALEKMISGMYLGEIARRVIVHLSSINCLPAALQTALGNRGSFESRFAGMISADRMPGLQF
TRSTIQKVCGVDVQSIEDLRIIRDVCRLVRGRAAQLSASFCCAPLVKTQTQGRATIAIDG
SVFEKIPSFRRVLQDNINRILGPECDVRAVLAKGGSGVGAALISAIVADGK

BDBM47024

n/a

Name

BDBM47024

Synonyms:

(2E,3E)-3-(3-methoxy-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-2-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)propanenitrile | (2E,3E)-3-(3-methoxy-4-oxo-1-cyclohexa-2,5-dienylidene)-2-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)propanenitrile | (2E,3E)-3-(3-methoxy-4-oxocyclohexa-2,5-dien-1-ylidene)-2-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)propanenitrile | (2E,3E)-3-(4-keto-3-methoxy-cyclohexa-2,5-dien-1-ylidene)-2-(4,5,6,7-tetrahydro-3H-1,3-benzothiazol-2-ylidene)propionitrile | MLS000536753 | SMR000155710 | cid_11948772

Type

Small organic molecule

Emp. Form.

C17H16N2O2S

Mol. Mass.

312.386

SMILES

COc1cc(C=C(C#N)c2nc3CCCCc3s2)ccc1O

Structure