Literature summary for 3.5.4.B9 extracted from

Li, M.; Shandilya, S.M.; Carpenter, M.A.; Rathore, A.; Brown, W.L.; Perkins, A.L.; Harki, D.A.; Solberg, J.; Hook, D.J.; Pandey, K.K.; Parniak, M.A.; Johnson, J.R.; Krogan, N.J.; Somasundaran, M.; Ali, A.; Schiffer, C.A.; Harris, R.S.
First-in-class small molecule inhibitors of the single-strand DNA cytosine deaminase APOBEC3G (2012), ACS Chem. Biol., 7, 506-517.

Crystallization (Commentary)

Crystallization (Comment)	Organism
-	Homo sapiens

Inhibitors

Inhibitors	Comment	Organism
(12bS)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol	-	Homo sapiens
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol	-	Homo sapiens
(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid	-	Homo sapiens
(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid	-	Homo sapiens
(3,4-dihydroxyphenyl)acetic acid	-	Homo sapiens
(5E)-N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5(2H)-imine	-	Homo sapiens
(6aR)-6-(prop-2-en-1-yl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol	-	Homo sapiens
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol	-	Homo sapiens
(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol	-	Homo sapiens
(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol	-	Homo sapiens
(6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-[(pyridin-4-yl)sulfanyl]acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid	-	Homo sapiens
1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol	-	Homo sapiens
2-amino-3-(2,4,5-trihydroxyphenyl)propanoic acid	-	Homo sapiens
2-Iodoacetamide	-	Homo sapiens
2-phenyl-1,2-benzoselenazol-3(2H)-one	-	Homo sapiens
2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-6-hydroxy-4H-pyran-4-one	-	Homo sapiens
2-[methyl(nitroso)amino]benzene-1,4-diol	-	Homo sapiens
3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-yl)methanediyl]bis(6-hydroxybenzoic acid)	-	Homo sapiens
3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one	-	Homo sapiens
4,4'-(2,3-dimethylbutane-1,4-diyl)dibenzene-1,2-diol	-	Homo sapiens
4-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-4-yl)benzene-1,2-diol	-	Homo sapiens
4-[(2-sulfanyl-1H-imidazol-1-yl)methyl]phenol	-	Homo sapiens
4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol	-	Homo sapiens
4-[methyl(nitroso)amino]benzene-1,2-diol	-	Homo sapiens
6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol	-	Homo sapiens
aurothio-beta-D-glucose	-	Homo sapiens
benzene-1,4-diol	-	Homo sapiens
cephapirin	-	Homo sapiens
cyclohexa-2,5-diene-1,4-dione	-	Homo sapiens
methyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate	-	Homo sapiens
N-[(4bS,8R,8aS)-7-(cyclopropylmethyl)-1,8a-dihydroxy-5,6,7,8,8a,9,14,14b-octahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazol-11-yl]guanidine	-	Homo sapiens
N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide	-	Homo sapiens
p-chloromercuribenzoate	-	Homo sapiens
tetrasodium 3-[(E)-[4-formyl-5,6-dihydroxy-3-[(phosphonatoperoxy)methyl]pyridin-2-yl]diazenyl]-7-nitronaphthalene-1,5-disulfonate	-	Homo sapiens

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
cytosine in single-stranded viral DNA + H2O	Homo sapiens	-	uracil in single-stranded viral DNA + NH3	-	?

Organism

Organism	UniProt	Comment	Textmining
Homo sapiens	Q9HC16	-	-

Purification (Commentary)

Purification (Comment)	Organism
-	Homo sapiens

Source Tissue

Source Tissue	Comment	Organism	Textmining
HEK-293T cell	-	Homo sapiens	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
cytosine in single-stranded viral DNA + H2O	-	Homo sapiens	uracil in single-stranded viral DNA + NH3	-	?

Synonyms

Synonyms	Comment	Organism
A3G	-	Homo sapiens
APOBEC3G	-	Homo sapiens
apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G	-	Homo sapiens

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.00013	-	at pH 7.8 and 37°C	Homo sapiens	p-chloromercuribenzoate
0.00017	-	at pH 7.8 and 37°C	Homo sapiens	cyclohexa-2,5-diene-1,4-dione
0.00036	-	at pH 7.8 and 37°C	Homo sapiens	aurothio-beta-D-glucose
0.00043	-	at pH 7.8 and 37°C	Homo sapiens	2-[methyl(nitroso)amino]benzene-1,4-diol
0.00045	-	at pH 7.8 and 37°C	Homo sapiens	N-[2-(3,4-dihydroxyphenyl)ethyl]acetamide
0.00049	-	at pH 7.8 and 37°C	Homo sapiens	3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-yl)methanediyl]bis(6-hydroxybenzoic acid)
0.00059	-	at pH 7.8 and 37°C	Homo sapiens	(12bS)-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
0.0007	-	at pH 7.8 and 37°C	Homo sapiens	6-amino-5,6,7,8-tetrahydronaphthalene-2,3-diol
0.0013	-	at pH 7.8 and 37°C	Homo sapiens	(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol
0.0013	-	at pH 7.8 and 37°C	Homo sapiens	(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
0.0013	-	at pH 7.8 and 37°C	Homo sapiens	4-(4,5,6,7-tetrahydrothieno[2,3-c]pyridin-4-yl)benzene-1,2-diol
0.0017	-	at pH 7.8 and 37°C	Homo sapiens	(6aR)-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,10,11-triol
0.0018	-	at pH 7.8 and 37°C	Homo sapiens	4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]benzene-1,2-diol
0.002	-	at pH 7.8 and 37°C	Homo sapiens	2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-6-hydroxy-4H-pyran-4-one
0.0026	-	at pH 7.8 and 37°C	Homo sapiens	benzene-1,4-diol
0.0028	-	at pH 7.8 and 37°C	Homo sapiens	2-phenyl-1,2-benzoselenazol-3(2H)-one
0.0029	-	at pH 7.8 and 37°C	Homo sapiens	(6aR)-6-(prop-2-en-1-yl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
0.003	-	at pH 7.8 and 37°C	Homo sapiens	2-Iodoacetamide
0.0034	-	at pH 7.8 and 37°C	Homo sapiens	3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-4H-chromen-4-one
0.0035	-	at pH 7.8 and 37°C	Homo sapiens	4-[(2-sulfanyl-1H-imidazol-1-yl)methyl]phenol
0.004	-	at pH 7.8 and 37°C	Homo sapiens	2-amino-3-(2,4,5-trihydroxyphenyl)propanoic acid
0.0053	-	at pH 7.8 and 37°C	Homo sapiens	(2S)-3-(3,4-dihydroxyphenyl)-2-hydrazinyl-2-methylpropanoic acid
0.0056	-	at pH 7.8 and 37°C	Homo sapiens	tetrasodium 3-[(E)-[4-formyl-5,6-dihydroxy-3-[(phosphonatoperoxy)methyl]pyridin-2-yl]diazenyl]-7-nitronaphthalene-1,5-disulfonate
0.0064	-	at pH 7.8 and 37°C	Homo sapiens	(6aR)-6-propyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-10,11-diol
0.0064	-	at pH 7.8 and 37°C	Homo sapiens	N-[(4bS,8R,8aS)-7-(cyclopropylmethyl)-1,8a-dihydroxy-5,6,7,8,8a,9,14,14b-octahydro-4,8-methano[1]benzofuro[2,3-a]pyrido[4,3-b]carbazol-11-yl]guanidine
0.0075	-	at pH 7.8 and 37°C	Homo sapiens	(6R,7R)-3-[(acetyloxy)methyl]-8-oxo-7-[2-[(pyridin-4-yl)sulfanyl]acetamido]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
0.0088	-	at pH 7.8 and 37°C	Homo sapiens	4,4'-(2,3-dimethylbutane-1,4-diyl)dibenzene-1,2-diol
0.0091	-	at pH 7.8 and 37°C	Homo sapiens	4-[methyl(nitroso)amino]benzene-1,2-diol
0.013	-	at pH 7.8 and 37°C	Homo sapiens	cephapirin
0.013	-	at pH 7.8 and 37°C	Homo sapiens	methyl 2-amino-3-(3,4-dihydroxyphenyl)propanoate
0.019	-	at pH 7.8 and 37°C	Homo sapiens	(3,4-dihydroxyphenyl)acetic acid
0.027	-	at pH 7.8 and 37°C	Homo sapiens	1-phenyl-2,3,4,5-tetrahydro-1H-3-benzazepine-7,8-diol
0.029	-	at pH 7.8 and 37°C	Homo sapiens	(5E)-N-methyl-2,3-diphenyl-1,2,4-thiadiazol-5(2H)-imine
0.085	-	at pH 7.8 and 37°C	Homo sapiens	(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid