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Drug-Target Interaction

Drug

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PubChem ID:1174
Structure:
Synonyms:
138285-60-6
144104-68-7
153445-42-2
16908-84-2
1H-pyrimidine-2,4-dione
1ui0
2,4(1H,3H)-Pyrimidinedione
2,4(1H,3H)-Pyrimidinedione (9CI)
2,4(1H,3H)-Pyrimidinedione, labeled with tritium
2,4-Dihydroxypyrimidine
2,4-Dioxopyrimidine
2,4-Pyrimidinediol
2,4-Pyrimidinedione
2-hydroxy-4(1H)-pyrimidinone
2-hydroxy-4(3H)-pyrimidinone
24897-50-5
4-hydroxy-2(1H)-pyrimidinone
42910-77-0
4433-21-0
4433-24-3
51953-19-6
66-22-8
766-19-8
AC-907/30002021
AC1L1AW5
AC1Q1GU8
AC1Q6GOT
AG-D-62512
AG-G-49582
AI3-25470
AIDS-009895
AIDS009895
AKOS000119989
AKOS002303991
AR-1L7967
BBL004237
BB_NC-2210
BMS 205603-01
bmse000187
C00106
C4H4N2O2
CCG-35866
CCRIS 3077
CHEBI:17568
CHEMBL566
D00027
D014498
DB03419
E2FC11E5-1887-46DF-B415-82313CE9B2BD
EINECS 200-621-9
HMS2234E19
HMS3264C13
Hybar X
I03-0056
LS-7748
MLS001304993
MolPort-000-514-602
MolPort-001-641-045
NCGC00181030-01
NCGC00247663-01
NCI60_003718
NCIMech_000782
NSC 3970
NSC29742
NSC3970
Pirod
pyrimidine-2,4(1H,3H)-dione
pyrimidine-2,4-diol
Pyrod
RU 12709
SMR000752912
SQ 6201
SQ 7726
SQ 8493
ST5165192
STK301734
STL124066
TL806199
U0013
U0750_SIGMA
U1128_SIGMA
U3879_SIGMA
UDP
Ura
URACIL
Uracil (8CI)
Uracil (JAN/USAN)
Uracil [USAN]
Uracil-2-14C
Uracil-5-d
Urazil
ZINC00895045

Target

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Uniprot ID:TYSY_LACCA
Synonyms:
Thymidylate synthase
TS
TSase
EC-Numbers:2.1.1.45
Organism:Lactobacillus casei
PDB IDs:1BO7 1BO8 1BP0 1BP6 1BPJ 1JMF 1JMG 1JMH 1JMI 1LCA 1LCB 1LCE 1NJA 1NJB 1NJC 1NJD 1NJE 1TDA 1TDB 1TDC 1THY 1TSL 1TSM 1TSV 1TSW 1TSX 1TSY 1TSZ 1TVU 1TVV 1TVW 1VZA 1VZB 1VZC 1VZD 1VZE 2G86 2G89 2G8A 2G8D 2TDD 2TDM 3BNZ 3BYX 3BZ0 3C06 3C0A 4TMS
Structure:
4TMS

Binding Affinities:

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

References:

110931
Synthesis of 5-selenium-substituted uracil derivatives. Inhibition of thymidylate synthetase by 5-hydroseleno-2'-deoxyuridylate.. S Choi; T I Kalman; T J Bardos (1979) Journal of medicinal chemistry display abstract
5-Selenium-substituted derivatives (diselenides) or uracil, 2'-deoxyuridine, and 2'-deoxyuridylic acid were synthesized via the addition of methyl hypobromite to the 5,6 double bond, followed by reaction of the adducts with sodium diselenide. The physical and chemical properties of these compounds (including their facile reduction by dithiothreitol and rapid reoxidation) were similar to those of the corresponding 5-sulfur analogues. 5-Hydroseleno-2'-deoxyuridylic acid was as potent as 5-mercapto-2'-deoxyuridylate in inhibiting thymidylate synthetase from L. casei (ki approximately 6 X 10(-8) M) but the nucleoside III was considerably less active than 5-mercapto-2'-deoxyuridine in the inhibition of growth of the leukemia L1210 cell in culture.