Protein Information

General Information of the Protein

Protein ID	PT02896
Protein Name	Tryptophan 2,3-dioxygenase
Secondarily Protein Name	Tryptamin 2,3-dioxygenase Tryptophan oxygenase Tryptophan pyrrolase Tryptophanase
Gene Name	TDO2
Secondarily Gene Name	TDO
Sequence	MSGCPFLGNNFGYTFKKLPVEGSEEDKSQTGVNRASKGGLIYGNYLHLEKVLNAQELQSETKGNKIHDEHLFIITHQAYELWFKQILWELDSVREIFQNGHVRDERNMLKVVSRMHRVSVILKLLVQQFSILETMTALDFNDFREYLSPASGFQSLQFRLLENKIGVLQNMRVPYNRRHYRDNFKGEENELLLKSEQEKTLLELVEAWLERTPGLEPHGFNFWGKLEKNITRGLEEEFIRIQAKEESEEKEEQVAEFQKQKEVLLSLFDEKRHEHLLSKGERRLSYRALQGALMIYFYREEPRFQVPFQLLTSLMDIDSLMTKWRYNHVCMVHRMLGSKAGTGGSSGYHYLRSTVSDRYKVFVDLFNLSTYLIPRHWIPKMNPTIHKFLYTAEYCDSSYFSSDESD Show/Hide
Organism	Homo sapiens, Human
Protein Classification	Enzyme > Oxidoreductase
Function	Heme-dependent dioxygenase that catalyzes the oxidative cleavage of the L-tryptophan (L-Trp) pyrrole ring and converts L-tryptophan to N-formyl-L-kynurenine. Catalyzes the oxidative cleavage of the indole moiety. Show/Hide
Uniprot ID	Primary ID: P48775 Secondarily ID: A8K053 Show/Hide
Ensembl ID	ENSG00000151790
HGNC ID	HGNC:11708

Map of Molecular Bioactivity Related to the Protein

Map of Molecular Bioactivity Related to the Protein Protein Cell Line Compound Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity

Table of Molecular Bioactivities Related to the Protein

Cell Line ID: CL000438 , A-172

Cell Line Info

Compound ID	Compound Name	Compound Formula
CP0544887 Compound Info	2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]acetamide Show/Hide	C18H16FN3O3S	1
1	IC50 = 26 nM Bioactivity Info	TI LI LO TS
CP0465020 Compound Info	(3R)-5-(6-fluoro-1H-indol-3-yl)-3-methyl-2,3-dihydro-1,2-benzothiazole 1,1-dioxide Show/Hide	C16H13FN2O2S	1
1	IC50 = 27 nM Bioactivity Info	TI LI LO TS
CP0451811 Compound Info	[5-(6-fluoro-1H-indol-3-yl)-1,1-dioxo-2,3-dihydro-1,2-benzothiazol-3-yl]methanol Show/Hide	C16H13FN2O3S	1
1	IC50 = 43 nM Bioactivity Info	TI LI LO TS
CP0566878 Compound Info	4-[[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-one Show/Hide	C21H20FN3O4S	1
1	IC50 = 58 nM Bioactivity Info	TI LI LO TS
CP0510722 Compound Info	3-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]-N-methylpropanamide Show/Hide	C20H20FN3O3S	1
1	IC50 = 71 nM Bioactivity Info	TI LI LO TS
CP0537584 Compound Info	2-[5-(6-fluoro-1H-indol-3-yl)-3-methyl-1,1-dioxo-3H-1,2-benzothiazol-2-yl]ethanesulfonamide Show/Hide	C18H18FN3O4S2	1
1	IC50 = 309 nM Bioactivity Info	TI LI LO TS

Cell Line ID: CL000026 , CHO-K1

Cell Line Info

Cell Line ID: CL000006 , HEK293

Cell Line Info

Cell Line ID: CL000154 , HEK293-EBNA1-6E

Cell Line Info

Cell Line ID: CL000784 , P815B

Cell Line Info

Cell Line ID: CL000518 , SW48

Cell Line Info

Cell Line ID: CL000015 , SW480

Cell Line Info

Cell Line ID: CL000102 , U-87MG ATCC

Cell Line Info

Biochemical Assays

Compound ID	Compound Name	Compound Formula
CP0073699 Compound Info	4-(4-fluoropyrazol-1-yl)-1,2-oxazol-5-amine Show/Hide	C6H5FN4O	2
1	EC50 = 77 nM
2	IC50 = 340 nM
CP0119011 Compound Info	(1R,4r)-4-((R)-2-((S)-6-fluoro-5H-imidazo[5,1- a]isoindol-5-yl)-1-hydroxyethyl)cyclohexanol Show/Hide	C18H21FN2O2	3
1	EC50 = 2000 nM
2	IC50 = 140 nM
3	IC50 = 800 nM
CP0355662 Compound Info	1-(3-chloro-4-fluorophenyl)-6-fluorobenzo[f]benzotriazole-4,9-dione Show/Hide	C16H6ClF2N3O2	1
1	IC50 = 4 nM
CP0234045 Compound Info	4-thiophen-3-yl-1,2-oxazol-5-amine Show/Hide	C7H6N2OS	1
1	IC50 = 28 nM
CP0346370 Compound Info	4-thiophen-2-yl-1,2-oxazol-5-amine Show/Hide	C7H6N2OS	1
1	IC50 = 29 nM
CP0569762 Compound Info	1-(chloromethyl)-6,6-dimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione Show/Hide	C19H13ClO4	1
1	IC50 = 110 nM
CP0230210 Compound Info	(4S,5S)-5-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-4-ol Show/Hide	C17H16N4O	1
1	IC50 = 130 nM
CP0080260 Compound Info	4-phenyl-1,2-oxazol-5-amine Show/Hide	C9H8N2O	1
1	IC50 = 140 nM
CP0571819 Compound Info	(6,6-dimethyl-7,10,11-trioxonaphtho[1,2-g][1]benzofuran-1-yl)methyl acetate Show/Hide	C21H16O6	2
1	IC50 = 160 nM
2	Ki = 730 nM
CP0364637 Compound Info	N-methyl-4-phenyl-1,2-oxazol-5-amine Show/Hide	C10H10N2O	1
1	IC50 = 190 nM
CP0578578 Compound Info	1-(hydroxymethyl)-6,6-dimethyl-8,9-dihydronaphtho[1,2-g][1]benzofuran-7,10,11-trione Show/Hide	C19H16O5	1
1	IC50 = 200 nM
CP0469397 Compound Info	5-phenylthiadiazol-4-amine Show/Hide	C8H7N3S	1
1	IC50 = 270 nM
CP0070765 Compound Info	6-Fluoro-3-((E)-2-pyridin-3-yl-vinyl)-1H-indole Show/Hide	C15H11FN2	5
1	IC50 = 280 nM
2	IC50 = 350 nM
3	IC50 = 376.5 nM
4	IC50 = 937 nM
5	IC50 = 1300 nM
CP0080261 Compound Info	4-pyrazol-1-yl-1,2-oxazol-5-amine Show/Hide	C6H6N4O	1
1	IC50 = 290 nM
CP0579363 Compound Info	[(7S)-1,6,6-trimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-7-yl] acetate Show/Hide	C21H20O5	1
1	IC50 = 370 nM
CP0350803 Compound Info	1-(hydroxymethyl)-6,6-dimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione Show/Hide	C19H14O5	1
1	IC50 = 450 nM
CP0576804 Compound Info	PRZEWAQUINONE A Show/Hide	C19H18O4	1
1	IC50 = 450 nM
CP0225530 Compound Info	4-(3-chlorophenyl)-1,2-oxazol-5-amine Show/Hide	C9H7ClN2O	2
1	IC50 = 500 nM
2	IC50 = 2940 nM
CP0569395 Compound Info	1-(fluoromethyl)-6,6-dimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione Show/Hide	C19H13FO4	1
1	IC50 = 570 nM
CP0222808 Compound Info	4-(4-fluorophenyl)-1,2-oxazol-5-amine Show/Hide	C9H7FN2O	1
1	IC50 = 580 nM
CP0072203 Compound Info	US10155972, Compound LM10 Show/Hide	C11H8FN5	3
1	IC50 = 620 nM
2	IC50 = 2000 nM
3	Ki = 5500 nM
CP0080251 Compound Info	4-cyclopentyl-1,2-oxazol-5-amine Show/Hide	C8H12N2O	1
1	IC50 = 640 nM
CP0571820 Compound Info	(6,6-dimethyl-7,10,11-trioxo-8,9-dihydronaphtho[1,2-g][1]benzofuran-1-yl)methyl acetate Show/Hide	C21H18O6	1
1	IC50 = 670 nM
CP0578083 Compound Info	9-bromo-1,6,6-trimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione Show/Hide	C19H17BrO3	1
1	IC50 = 710 nM
CP0159403 Compound Info	8-fluoro-2-[(4-methylpiperazin-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione Show/Hide	C21H19FN4O2	1
1	IC50 = 760 nM
CP0431574 Compound Info	8-fluoro-2-(4-methylpiperazin-1-yl)indolo[2,1-b]quinazoline-6,12-dione Show/Hide	C20H17FN4O2	1
1	IC50 = 760 nM
CP0073693 Compound Info	4-(4-chlorophenyl)-1,2-oxazol-5-amine Show/Hide	C9H7ClN2O	2
1	IC50 = 830 nM
2	IC50 = 4210 nM
CP0075091 Compound Info	indolo[2,1-b]quinazoline-6,12-dione Show/Hide	C15H8N2O2	1
1	IC50 = 900 nM
CP0579187 Compound Info	1,6,6-trimethyl-8,9-dihydronaphtho[1,2-g][1]benzofuran-7,10,11-trione Show/Hide	C19H16O4	1
1	IC50 = 940 nM
CP0579362 Compound Info	1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-7,10,11-trione Show/Hide	C19H14O4	1
1	IC50 = 960 nM
CP0569394 Compound Info	8-hydroxy-1,6,6-trimethylnaphtho[1,2-g][1]benzofuran-9,10,11-trione Show/Hide	C19H14O5	1
1	IC50 = 1010 nM
CP0579210 Compound Info	(7S)-7-hydroxy-1-(hydroxymethyl)-6,6-dimethyl-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-10,11-dione Show/Hide	C19H18O5	1
1	IC50 = 1010 nM
CP0578579 Compound Info	[(7S)-1,6,6-trimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-7-yl] methanesulfonate Show/Hide	C20H20O6S	1
1	IC50 = 1210 nM
CP0579211 Compound Info	8-hydroxy-1,6,6-trimethyl-7,8-dihydronaphtho[1,2-g][1]benzofuran-9,10,11-trione Show/Hide	C19H16O5	1
1	IC50 = 1480 nM
CP0080253 Compound Info	4-(3-methylpyrazol-1-yl)-1,2-oxazol-5-amine Show/Hide	C7H8N4O	1
1	IC50 = 1600 nM
CP0559942 Compound Info	4-(4-methylpyrazol-1-yl)-1,2-oxazol-5-amine Show/Hide	C7H8N4O	1
1	IC50 = 1600 nM
CP0534912 Compound Info	4-pyridin-2-yl-1,2-oxazol-5-amine Show/Hide	C8H7N3O	1
1	IC50 = 1700 nM
CP0576805 Compound Info	[(7S)-1-(hydroxymethyl)-6,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-7-yl] acetate Show/Hide	C21H20O6	1
1	IC50 = 1840 nM
CP0521484 Compound Info	4-pyridin-3-yl-1,2-oxazol-5-amine Show/Hide	C8H7N3O	1
1	IC50 = 2300 nM
CP0550329 Compound Info	[(7S)-7-hydroxy-6,6-dimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-1-yl]methyl acetate Show/Hide	C21H20O6	1
1	IC50 = 2420 nM
CP0545404 Compound Info	3-Hydroxytanshinone Show/Hide	C19H18O4	1
1	IC50 = 2700 nM
CP0429359 Compound Info	4-(3-methoxyphenyl)-1,2-oxazol-5-amine Show/Hide	C10H10N2O2	1
1	IC50 = 3100 nM
CP0466617 Compound Info	(4-phenyl-1,2-oxazol-5-yl)methanol Show/Hide	C10H9NO2	1
1	IC50 = 4400 nM
CP0230444 Compound Info	4-cyclohexyl-1,2-oxazol-5-amine Show/Hide	C9H14N2O	1
1	IC50 = 7800 nM
CP0569181 Compound Info	N,N-diethyl-6,6-dimethyl-7,10,11-trioxonaphtho[1,2-g][1]benzofuran-1-carboxamide Show/Hide	C23H21NO5	1
1	IC50 = 9540 nM
CP0081974 Compound Info	US10034864, Example 1 Show/Hide	C11H13BrFN7O4S	2
1	IC50 = 16100 nM
2	IC50 > 10000 nM
CP0222812 Compound Info	4-phenyl-1,2-thiazol-5-amine Show/Hide	C9H8N2S	1
1	IC50 = 18000 nM
CP0210888 Compound Info	3-methyl-4-phenyl-1,2-oxazol-5-amine Show/Hide	C10H10N2O	1
1	IC50 = 25000 nM
CP0165127 Compound Info	CHEMBL4161733 Show/Hide	C24H24ClFN2O	2
1	IC50 > 2000 nM
2	IC50 > 10000 nM
CP0578577 Compound Info	6,6-dimethyl-7,10,11-trioxonaphtho[1,2-g][1]benzofuran-1-carboxylic acid Show/Hide	C19H12O6	1
1	IC50 > 10000 nM
CP0210992 Compound Info	2-methyl-4-phenylpyrazol-3-amine Show/Hide	C10H11N3	1
1	IC50 > 25000 nM
CP0248178 Compound Info	5-phenyl-1,2-oxazol-4-amine Show/Hide	C9H8N2O	1
1	IC50 > 25000 nM
CP0248179 Compound Info	3-phenyltriazol-4-amine Show/Hide	C8H8N4	1
1	IC50 > 25000 nM
CP0346369 Compound Info	4-phenyl-1,2-oxazole Show/Hide	C9H7NO	1
1	IC50 > 25000 nM
CP0354580 Compound Info	4-phenyl-1,2-oxazole-5-carboxamide Show/Hide	C10H8N2O2	1
1	IC50 > 25000 nM
CP0354582 Compound Info	4-phenyl-1H-pyrazol-5-amine Show/Hide	C9H9N3	1
1	IC50 > 25000 nM
CP0364638 Compound Info	4-phenyl-1,2,4-triazol-3-amine Show/Hide	C8H8N4	1
1	IC50 > 25000 nM
CP0473820 Compound Info	4-phenylthiadiazol-5-amine Show/Hide	C8H7N3S	1
1	IC50 > 25000 nM
CP0534913 Compound Info	5-phenyl-1,2-thiazol-4-amine Show/Hide	C9H8N2S	1
1	IC50 > 25000 nM
CP0543217 Compound Info	N-methyl-4-phenyl-1,2-oxazole-5-carboxamide Show/Hide	C11H10N2O2	1
1	IC50 > 25000 nM

Clinical Information about the Protein

Target 1 ( Tryptophan 2,3-dioxygenase (TDO) )

Target Type	Clinical trial Target
Disease	1 Target-related Disease				1
1	Solid tumour/cancer [ICD-11: 2A00-2F9Z]
Preclinical Drug(s)	3 Preclinical Drugs				3
1	4-(4-fluoropyrazol-1-yl)-1,2-oxazol-5-amine	Drug Info	Preclinical	Solid tumour/cancer
2	680C91	Drug Info	Preclinical	Solid tumour/cancer
3	LM10	Drug Info	Preclinical	Solid tumour/cancer

Similar Protein(s) and Bioactivity Statistics

50% Identity

Protein ID	Protein Name	Protein Organism
PT05447	Tryptophan 2,3-dioxygenase	Mus musculus, Mouse	Protein Info

Cite

About MolBiC

Correspondence

Prof. Feng ZHU

Prof. Leo, Lianyi Han