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Drug-Target Interaction

Drug

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PubChem ID:650
Structure:
Synonyms:
11038_FLUKA
151677-70-2
2,3 Butanedione
2,3-Butadione
2,3-butandione
2,3-butanedione
2,3-Butanedione (8CI,9CI)
2,3-diketobutane
2,3-dioxobutane
4-01-00-03644 (Beilstein Handbook Reference)
431-03-8
625-34-3
AB1002685
AC1L19PK
Acetoacetaldehyde
AI3-03313
AKOS000118816
B0682
B85307_ALDRICH
BB_SC-8804
BDM
biacetyl
BRN 0605398
butadione
Butan-2,3-dione
Butanal, 3-oxo-
Butane-2,3-dione
butanedione
Butanedione [UN2346] [Flammable liquid]
Butanedione [UN2346] [Flammable liquid]
C00741
CCG-204481
CCRIS 827
CHEBI:16583
CHEMBL365809
D 3634
D003931
DEE64962-0BD5-454C-8BDA-FDBD33C47181
DIACETYL
Diacetyl (natural)
Diketobutane
dimethyl diketone
Dimethyl glyoxal
Dimethyldiketone
dimethylglyoxal
Dotriacontane
EINECS 207-069-8
EU-0100387
FEMA No. 2370
Glyoxal, dimethyl-
HMS3261M15
HSDB 297
I14-1154
Lopac-D-3634
Lopac0_000387
LS-116
MolPort-001-768-865
NCGC00015336-01
NCGC00015336-02
NCGC00015336-03
NCGC00015336-04
NCGC00015336-05
NCGC00015336-06
NCGC00090746-01
NCGC00090746-02
NCGC00090746-03
NSC 8750
NSC8750
SGCUT00113
to_000005
UN2346
WLN: 1VV1
ZINC01532732

Target

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Uniprot ID:EST1_HUMAN
Synonyms:
ACAT
Acyl coenzyme A:cholesterol acyltransferase
Brain carboxylesterase hBr1
Egasyn
HMSE
Liver carboxylesterase 1
Monocyte/macrophage serine esterase
REH
Retinyl ester hydrolase
Serine esterase 1
TGH
Triacylglycerol hydrolase
EC-Numbers:3.1.1.1
Organism:Homo sapiens
Human
PDB IDs:1MX1 1MX5 1MX9 1YA4 1YA8 1YAH 1YAJ 2DQY 2DQZ 2DR0 2H7C 2HRQ 2HRR
Structure:
2HRR

Binding Affinities:

Ki: Kd:Ic 50:Ec50/Ic50:
>100000---

References: