Ki Summary

Reaction Details

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Target

Hexokinase HKDC1 [W721R]

Ligand

BDBM38601

Substrate/Competitor

n/a

Meas. Tech.

Dose Response confirmation of inhibitors of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay

IC50

80000±n/a nM

Citation

PubChem, PC Dose Response confirmation of inhibitors of hexokinase domain containing I (HKDC1) in the hexokinase 1 selectivity assay PubChem Bioassay(2011)[AID]

More Info.:

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

Hexokinase HKDC1 [W721R]

Name:

Hexokinase HKDC1 [W721R]

Synonyms:

HKDC1 | HKDC1_HUMAN | putative hexokinase HKDC1

Type:

Enzyme Catalytic Domain

Mol. Mass.:

102520.24

Organism:

Homo sapiens (Human)

Description:

gi_156151420

Residue:

917

Sequence:

MFAVHLMAFYFSKLKEDQIKKVDRFLYHMRLSDDTLLDIMRRFRAEMEKGLAKDTNPTAA
VKMLPTFVRAIPDGSENGEFLSLDLGGSKFRVLKVQVAEEGKRHVQMESQFYPTPNEIIR
GNGTELFEYVADCLADFMKTKDLKHKKLPLGLTFSFPCRQTKLEEGVLLSWTKKFKARGV
QDTDVVSRLTKAMRRHKDMDVDILALVNDTVGTMMTCAYDDPYCEVGVIIGTGTNACYME
DMSNIDLVEGDEGRMCINTEWGAFGDDGALEDIRTEFDRELDLGSLNPGKQLFEKMISGL
YLGELVRLILLKMAKAGLLFGGEKSSALHTKGKIETRHVAAMEKYKEGLANTREILVDLG
LEPSEADCIAVQHVCTIVSFRSANLCAAALAAILTRLRENKKVERLRTTVGMDGTLYKIH
PQYPKRLHKVVRKLVPSCDVRFLLSESGSTKGAAMVTAVASRVQAQRKQIDRVLALFQLT
REQLVDVQAKMRAELEYGLKKKSHGLATVRMLPTYVCGLPDGTEKGKFLALDLGGTNFRV
LLVKIRSGRRSVRMYNKIFAIPLEIMQGTGEELFDHIVQCIADFLDYMGLKGASLPLGFT
FSFPCRQMSIDKGTLIGWTKGFKATDCEGEDVVDMLREAIKRRNEFDLDIVAVVNDTVGT
MMTCGYEDPNCEIGLIAGTGSNMCYMEDMRNIEMVEGGEGKMCINTEWGGFGDNGCIDDI
RTRYDTEVDEGSLNPGKQRYEKMTSGMYLGEIVRQILIDLTKQGLLFRGQISERLRTRGI
FETKFLSQIESDRLALLQVRRILQQLGLDSTCEDSIVVKEVCGAVSRRAAQLCGAGLAAI
VEKRREDQGLEHLRITVGVDGTLYKLHPHFSRILQETVKELAPRCDVTFMLSEDGSGKGA
ALITAVAKRLQQAQKEN

BDBM38601

n/a

Name

BDBM38601

Synonyms:

7-(3,4-dimethylanilino)-6-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one | 7-(3,4-dimethylanilino)-6-(o-tolyl)-7H-pyrrolo[3,4-b]pyridin-5-one | 7-[(3,4-dimethylphenyl)amino]-6-(2-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-one | 7-[(3,4-dimethylphenyl)amino]-6-(2-methylphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one | MLS000045804 | SMR000028201 | cid_3240143

Type

Small organic molecule

Emp. Form.

C22H21N3O

Mol. Mass.

343.4216

SMILES

Cc1ccc(Nc2n(-c3ccccc3C)c(=O)c3ccc[nH]c23)cc1C |(3.57,4.68,;4.6,3.53,;4.12,2.07,;5.15,.92,;6.65,1.24,;7.68,.09,;7.2,-1.37,;8.1,-2.61,;9.64,-2.61,;10.41,-1.28,;11.95,-1.28,;12.72,-2.61,;11.95,-3.94,;10.41,-3.94,;9.64,-5.28,;7.2,-3.85,;7.68,-5.31,;5.75,-3.38,;4.41,-4.15,;3.08,-3.38,;3.08,-1.84,;4.41,-1.07,;5.75,-1.84,;7.13,2.7,;6.1,3.85,;6.58,5.31,)|

Structure