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Drug-Target Interaction

Drug

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PubChem ID:72
Structure:
Synonyms:
1ykp
3, 4-Dihydroxybenzoic acid
3,4-dihydrobenzoic acid
3,4-Dihydroxybenzoate
3,4-dihydroxybenzoes
3,4-Dihydroxybenzoic acid
37580_ALDRICH
37580_FLUKA
4,5-Dihydroxybenzoic acid
4-10-00-01459 (Beilstein Handbook Reference)
4-Carboxy-1,2-dihydroxybenzene
976C8CCE-B25D-4E0A-9A6F-3CEEA7A6964F
99-50-3
AB1002236
AC1L18F1
AC1Q5TRL
AC1Q732Z
AIDS-002961
AIDS-082396
AIDS002961
AIDS082396
AKOS000119632
AR-1E9213
BB_NC-2256
Benzoic acid, 3,4-dihydroxy-
Benzoic acid, 3,4-dihydroxy- (9CI)
bmse000328
BRN 1448841
C00230
C009091
C7H6O4
Catechol-4-carboxylic Acid
CCRIS 6291
CHEBI:36062
CHEMBL37537
D-3487
DB03946
DHB
EINECS 202-760-0
HMS2270A17
I01-2896
KSC-10-128
KUC104409N
LS-7685
MLS000737807
MolPort-000-881-444
NCGC00246757-01
NCGC00246757-02
NSC 16631
NSC16631
Oxidative polymer of protocatechuic acid
POP
Protocatechuate
Protocatechuic acid
Protocatechuic acid polymer
protocatechuic acid, carboxy-14C-labeled
protocatechuic acid, monosodium salt
Protocatehuic acid
Pyrocatechol-4-carboxylic Acid
SMR000528167
TULIP017459

Target

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Uniprot ID:COMT_RAT
Synonyms:
Catechol O-methyltransferase
EC-Numbers:2.1.1.6
Organism:Rat
Rattus norvegicus
PDB IDs:1H1D 1JR4 1VID 2CL5 2ZLB 2ZTH 2ZVJ
Structure:
2ZVJ

Binding Affinities:

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

References:

2597177
Inhibition of rat liver and duodenum soluble catechol-O-methyltransferase by a tight-binding inhibitor OR-462.. E Schultz; E Nissinen (1989) Biochemical pharmacology display abstract
The inhibition kinetics of rat liver and duodenum soluble catechol-O-methyltransferase (COMT) with a disubstituted catechol OR-462 was studied. After preincubation of the enzyme and inhibitor in the presence of magnesium and S-adenyosylmethionine, an inhibition about thirty times greater than that without preincubation was observed. Reversible tight-binding inhibition was demonstrated with Ki values of 0.7 nM and 1.0 nM for liver and duodenum enzyme, respectively. Km values of 53.4 microM and 56.9 microM for substrate 3,4-dihydroxybenzoic acid and 23.0 microM and 17.5 microM for S-adenosylmethionine were calculated for liver and duodenum enzyme, respectively. A catalytic number of 24/min for liver soluble COMT was calculated.