Literature summary for 1.13.11.52 extracted from

Tomek, P.; Palmer, B.D.; Flanagan, J.U.; Sun, C.; Raven, E.L.; Ching, L.M.
Discovery and evaluation of inhibitors to the immunosuppressive enzyme indoleamine 2,3-dioxygenase 1 (IDO1) probing the active site-inhibitor interactions (2017), Eur. J. Med. Chem., 126, 983-996 .

Search for more literature for 1.13.11.52

Protein Variants

Protein Variants	Comment	Organism
C129A	site-directed mutagenesis, the mutant shows activity similar to the wild-type enzyme	Homo sapiens
S167A	site-directed mutagenesis, the mutant shows 3.6fold reduced activity compared to the wild-type enzyme, the mutant shows altered sensitivity to inhibitors compared to the wild-type enzyme	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism
1-cyclohexyl-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethan-1-ol	-	Homo sapiens
1-hydroxy-5,6-dimethoxy-3-oxo-2-phenyl-3H-indol-1-ium	-	Homo sapiens
1-oxo-2-phenyl-3H-1lambda5-indol-3-one	-	Homo sapiens
1-phenyl-2-(phenylsulfanyl)hydrazine	-	Homo sapiens
1H-phenanthro[9,10-d]imidazole	-	Homo sapiens
2,1,3-benzothiadiazole	-	Homo sapiens
2,1,3-benzoxadiazole	-	Homo sapiens
2-(1H-imidazol-4-yl)phenol	-	Homo sapiens
2-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol	-	Homo sapiens
2-(2-fluorophenyl)-1H-phenanthro[9,10-d]imidazole	-	Homo sapiens
2-(2-methylphenyl)-1-oxo-3H-1lambda5-indol-3-one	-	Homo sapiens
2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole	-	Homo sapiens
2-(4-methoxyphenyl)-1-oxo-3H-1lambda5-indol-3-one	-	Homo sapiens
2-(4-methoxyphenyl)-3H-indol-3-one	-	Homo sapiens
2-(4-methoxyphenyl)-3H-indole	-	Homo sapiens
2-chloro-N-[[(4-chlorophenyl)sulfanyl]methyl]aniline	-	Homo sapiens
2-phenyl-3H-indol-3-imine	-	Homo sapiens
2-phenyl-3H-indol-3-one	-	Homo sapiens
2-[[(2,4-dichlorophenyl)methyl]sulfanyl]-6-methylpyrimidin-4(5H)-one	-	Homo sapiens
3-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol	-	Homo sapiens
4-(1H-phenanthro[9,10-d]imidazol-2-yl)phenol	-	Homo sapiens
4-(4-methylbenzene-1-sulfinyl)-7-nitro-2,1,3-benzoxadiazole	-	Homo sapiens
4-amino-N-(3-chloro-4-fluorophenyl)-N'-hydroxy-1,2,5-oxadiazole-3-carboximidamide	-	Homo sapiens
4-nitro-2,1,3-benzothiadiazole	-	Homo sapiens
4-nitro-7-[(1-oxo-1lambda5--pyridin-2-yl)sulfanyl]-2,1,3-benzoxadiazole	-	Homo sapiens
4-phenyl-1H-imidazole	-	Homo sapiens
4-[(2,4-dichlorophenyl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole	-	Homo sapiens
4-[(3-chlorophenyl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole	-	Homo sapiens
4-[(4-fluorophenyl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole	-	Homo sapiens
4-[(4-methylphenyl)sulfanyl]-7-nitro-2,1,3-benzoxadiazole	-	Homo sapiens
4-[[(2,4-dichlorophenyl)methyl]sulfanyl]-6-methylpyrimidin-2(1H)-one	-	Homo sapiens
4-[[(2,4-dichlorophenyl)methyl]sulfanyl]pyrimidin-2(1H)-one	-	Homo sapiens
5-[[(2,4-dichlorophenyl)methyl]sulfanyl]-1H-1,2,4-triazole	-	Homo sapiens
6-(4-iodo-2-methylanilino)-2,1,3-benzoxadiazole-5-carboxylic acid	-	Homo sapiens
6-(4-iodo-2-methylanilino)-3-oxo-2,1,3lambda~5~-benzoxadiazole-5-carboxylic acid	-	Homo sapiens
7-fluoro-4-(2-fluoro-4-iodoanilino)-2,1,3-benzoxadiazole-5-carboxylic acid	-	Homo sapiens
7-nitro-N-phenyl-2,1,3-benzoxadiazol-4-amine	-	Homo sapiens
Benzothiazole	NC503425	Homo sapiens
methyl 7-fluoro-4-(2-fluoro-4-iodoanilino)-2,1,3-benzoxadiazole-5-carboxylate	-	Homo sapiens
additional information	NCI library inhibitor screening, and analysis of active site-inhibitor interactions, overview. Importance of Ser167 and Cys129 residues in the IDO1 active site for inhibitor binding. Structure-activity relationship studies propose substituents interacting with Ser167 on four investigated IDO1 inhibitors. Three of these four Ser167 interactions associate with an increased IDO1 inhibition and are correctly predicted by molecular docking supporting Ser167 as an important mediator of potency for IDO1 inhibitors. IC50 values in presence or absence of Tween 20 and reduced glutathione	Homo sapiens
N-(4-bromophenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine	-	Homo sapiens
N-(4-methoxyphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine	-	Homo sapiens
N-(4-methylphenyl)-2,1,3-benzoxadiazol-4-amine	-	Homo sapiens
N-(4-methylphenyl)-7-nitro-2,1,3-benzoxadiazol-4-amine	-	Homo sapiens
N-(phenyldisulfanyl)aniline	-	Homo sapiens
N-[(E)-(2-phenyl-3H-indol-3-yl)methylidene]hydroxylamine	-	Homo sapiens
N-[[(4-chlorophenyl)sulfanyl]methyl]-2-nitroaniline	-	Homo sapiens
N-[[(4-chlorophenyl)sulfanyl]methyl]-4-methylaniline	-	Homo sapiens
N-[[(4-chlorophenyl)sulfanyl]methyl]-4-nitroaniline	-	Homo sapiens
naphthalene-1,4-dione	-	Homo sapiens
NSC12646	-	Homo sapiens
NSC13785	-	Homo sapiens
NSC275428	-	Homo sapiens
NSC57103	-	Homo sapiens
NSC92207	-	Homo sapiens
S-(2-chlorophenyl) (4-chlorophenyl)carbamothioate	-	Homo sapiens
streptovaricin C	NSC19990	Homo sapiens
Thiourea	NSC201634	Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
D-tryptophan + O2	Homo sapiens	-	N-formyl-D-kynurenine	-	?
L-tryptophan + O2	Homo sapiens	-	N-formyl-L-kynurenine	-	?

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	P14902	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
D-tryptophan + O2	-	Homo sapiens	N-formyl-D-kynurenine	-	?
L-tryptophan + O2	-	Homo sapiens	N-formyl-L-kynurenine	-	?

Subunits

Subunits	Comment	Organism
?	x * 40000, recombinant enzyme, SDS-PAGE	Homo sapiens

Synonyms

Synonyms	Comment	Organism
IDO1	-	Homo sapiens
indoleamine 2,3-dioxygenase 1	-	Homo sapiens

pH Optimum

pH Optimum Minimum	pH Optimum Maximum	Comment	Organism
6.5	-	assay at	Homo sapiens

Cofactor

Cofactor	Comment	Organism	Structure
heme	-	Homo sapiens

General Information

General Information	Comment	Organism
additional information	active site-inhibitor interactions, overview. Importance of the Ser167 and the Cys129 residues in the IDO1 active site	Homo sapiens