Literature summary for 2.7.1.91 extracted from

Bayraktar, O.; Ozkirimli, E.; Ulgen, K.
Sphingosine kinase 1 (SK1) allosteric inhibitors that target the dimerization site (2017), Comput. Biol. Chem., 69, 64-76 .

Inhibitors

Inhibitors	Comment	Organism
(1S)-1-(2-fluorophenyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol	i.e. ZINC19691372	Homo sapiens
(1S,3R)-1-(3,4-dihydroxyphenyl)-2,3,4,9-tetrahydro-1H-b-carboline-3-carboxylic acid	i.e. ZINC00095976	Homo sapiens
(2R)-1-[5-methoxy-2-([[2-(methylsulfanyl)ethyl]amino]methyl)phenoxy]-3-(4-methylpiperazin-1-yl)propan-2-ol	i.e. ZINC20254629	Homo sapiens
(2S)-1-(1,3-benzodioxol-5-yloxy)-3-[benzyl(2-hydroxyethyl)amino]propan-2-ol	i.e. ZINC03253280	Homo sapiens
(2S)-1-(azepan-1-yl)-3-(1,3-benzodioxol-5-yloxy)propan-2-ol	i.e. ZINC02686881	Homo sapiens
(2S)-2-[(pyridin-4-ylmethyl)amino]butan-1-ol	i.e. ZINC05823226	Homo sapiens
(2S)-2-[[(2R)-3-(9H-carbazol-9-yl)-2-hydroxypropyl]amino]butanedioic acid	i.e. ZINC02707482	Homo sapiens
(3aR,4S,6R,6aR)-6-(6-amino-9H-purin-9-yl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxole-4-carboxylic acid	i.e. ZINC05033974	Homo sapiens
(3R,4R,5S)-2-(6-amino-9H-purin-9-yl)-5-methyltetrahydrofuran-3,4-diol	i.e. ZINC17005625	Homo sapiens
(4R)-4-(4-hydroxy-3-methoxyphenyl)-7-methoxy-1,2,3,4-tetrahydroisoquinolin-6-ol	i.e. ZINC01719191	Homo sapiens
(4R)-N4-(6-methoxyquinolin-8-yl)pentane-1,4-diamine	i.e. ZINC01530863	Homo sapiens
(S)-FTY720 regioisomer	-	Homo sapiens
(S)-FTY720 vinylphosphonate	-	Homo sapiens
2-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)-N-(prop-2-en-1-yl)hydrazinecarbothioamide	i.e. ZINC12651592	Homo sapiens
2-(4-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)-N-phenylhydrazinecarbothioamide	i.e. ZINC19419587	Homo sapiens
2-[(1R)-1-amino-2-methylpropyl]-6-hydroxypyrimidin-4(3H)-one	i.e. ZINC82450359	Homo sapiens
2-[(1S)-1,2-diaminoethyl]-5-(diethylamino)phenol	i.e. ZINC72201085	Homo sapiens
2-[(2S)-2-aminobutan-2-yl]-6-hydroxypyrimidin-4(3H)-one	i.e. ZINC82450459	Homo sapiens
2-[(2S)-4-[(2-aminopyrimidin-5-yl)methyl]-1-[(2-methylphenyl)methyl]piperazin-2-yl]ethan-1-ol	i.e. ZINC19759036	Homo sapiens
4-[5-[(1S)-6-hydroperoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-6-hydroxy-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]benzoic acid	i.e. ZINC16995081	Homo sapiens
5-([(3S)-3-(2-hydroxyethyl)-4-[(6-methylpyridin-2-yl)methyl]piperazin-1-yl]methyl)-2-methoxyphenol	i.e. ZINC19792941	Homo sapiens
5-[[2-(3-methylphenyl)hydrazinyl]methylidene]-2-thioxodihydropyrimidine-4,6(1H,5H)-dione	i.e. ZINC00221579	Homo sapiens
6-hydroxy-5-[2-[(4-hydroxy-2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]pentyl]-2-methylpyrimidin-4(3H)-one	i.e. ZINC18996465	Homo sapiens
7-(6-amino-9H-purin-9-yl)heptanoic acid	i.e. ZINC01569549	Homo sapiens
Amgen-82	-	Homo sapiens
Bodipy-sphingosine conjugate	-	Homo sapiens
D,L-threo-dihydrosphingosine	-	Homo sapiens
Genzyme-51	-	Homo sapiens
N,N-dimethyl sphingosine	-	Homo sapiens
PF-543	-	Homo sapiens
SKI-II	-	Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
ATP + sphingosine	Homo sapiens	-	ADP + sphingosine 1-phosphate	-	?

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	Q9NYA1	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
ATP + sphingosine	-	Homo sapiens	ADP + sphingosine 1-phosphate	-	?

Subunits

Subunits	Comment	Organism
homodimer	-	Homo sapiens

Synonyms

Synonyms	Comment	Organism
SK1	isoform	Homo sapiens
sphingosine kinase 1	-	Homo sapiens