Literature summary for 1.5.1.33 extracted from

Khalaf, A.I.; Huggan, J.K.; Suckling, C.J.; Gibson, C.L.; Stewart, K.; Giordani, F.; Barrett, M.P.; Wong, P.E.; Barrack, K.L.; Hunter, W.N.
Structure-based design and synthesis of antiparasitic pyrrolopyrimidines targeting pteridine reductase 1 (2014), J. Med. Chem., 57, 6479-6494 .

Inhibitors

Inhibitors	Comment	Organism
2,4-diamino-6-bromo-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2,4-diamino-6-[(E)-2-phenylethenyl]-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2,4-diamino-6-[(Z)-2-(4-methylphenyl)ethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2,4-diamino-6-[(Z)-2-phenylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2-amino-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2-amino-4-(cyclopentyloxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2-amino-4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2-amino-4-oxo-6-[(E)-2-phenylethenyl]-4,7-dihydro-3Hpyrrolo[2,3-d]pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2-amino-4-[(propan-2-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2-amino-5,6-bis(4-chlorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-5,6-bis(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]-pyrimidin-4-one	-	Trypanosoma brucei
2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-5-(3-chlorophenyl)-6-(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-5-(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-5-(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-5-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-5-methyl-6-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-6-(3-formylphenyl)-4-(1-pyrrolidinyl)-7H-pyrrolo-[2,3-d]pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-6-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-6-(4-fluorophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-6-bromo-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2-amino-6-phenyl-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-6-[3-(methanesulfonyl)phenyl]-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	-	Trypanosoma brucei
2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-6-[4-(methanesulfonyl)phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	-	Trypanosoma brucei
2-amino-6-[4-[3-(4-morpholinyl)propyl]phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one trifluoroacetate	-	Trypanosoma brucei
4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine	-	Trypanosoma brucei
4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine	-	Trypanosoma brucei
5,6-bis(4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
5,6-bis(4-chlorophenyl)-N~4~,N~4~-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
5,6-bis(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
5,6-bis(4-fluorophenyl)-N~4~,N~4~-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
5,6-bis(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
5-(3-chlorophenyl)-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
5-(4-fluorophenyl)-4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine	-	Trypanosoma brucei
5-(4-fluorophenyl)-4-isopropyloxy-7H-pyrrolo[2,3-d]-pyrimidin-2-amine	-	Trypanosoma brucei
5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
5-(phenylethynyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]-pyrimidin-2-amine	-	Trypanosoma brucei
5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
6-(4-fluorophenyl)-5-(4-methoxyphenyl)-N4,N4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
6-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
6-(4-fluorophenyl)-N~4~,N~4~-dimethyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
6-[4-(2-methylpropyl)phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
6-[4-(methanesulfonyl)phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
additional information	structure-based design and synthesis of 61 antiparasitic pyrrolopyrimidines targeting pteridine reductase 1, with input from crystal structures of 23 of these compounds complexed with enzyme PTR1, structure-activity relationships, inhibition mechanism, overview. Analysis of eight compounds sufficiently active in vivo evaluation in HEK cells, pharmacokinetic properties	Trypanosoma brucei
N-[3-(2,4-diamino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanesulfonamide	-	Trypanosoma brucei
N-[3-(2-amino-5-cyano-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanesulfonamide	-	Trypanosoma brucei
N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei
N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	-	Trypanosoma brucei

Natural Substrates/ Products (Substrates)

Natural Substrates	Organism	Comment (Nat. Sub.)	Natural Products	Comment (Nat. Pro.)	Rev.	Reac.
biopterin + 2 NADPH + 2 H+	Trypanosoma brucei	-	5,6,7,8-tetrahydrobiopterin + 2 NADP+	-	?

Organism

Organism	UniProt	Comment	Textmining
Trypanosoma brucei	-	-	-

Substrates and Products (Substrate)

Substrates	Comment Substrates	Organism	Products	Comment (Products)	Rev.	Reac.
biopterin + 2 NADPH + 2 H+	-	Trypanosoma brucei	5,6,7,8-tetrahydrobiopterin + 2 NADP+	-	?
biopterin + 2 NADPH + 2 H+	substrate binding structure	Trypanosoma brucei	5,6,7,8-tetrahydrobiopterin + 2 NADP+	-	?

Synonyms

Synonyms	Comment	Organism
pteridine reductase 1	-	Trypanosoma brucei
PTR1	-	Trypanosoma brucei
TbPTR1	-	Trypanosoma brucei

Cofactor

Cofactor	Comment	Organism	Structure
NADPH	cofactor binding structure	Trypanosoma brucei

Ki Value [mM]

Ki Value [mM]	Ki Value maximum [mM]	Inhibitor	Comment	Organism
0.000135	-	6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.000137	-	2-amino-4-oxo-6-[(E)-2-phenylethenyl]-4,7-dihydro-3Hpyrrolo[2,3-d]pyrimidine-5-carbonitrile	pH and temperature not specified in the publication	Trypanosoma brucei
0.00016	-	2,4-diamino-6-[(E)-2-phenylethenyl]-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonitrile	pH and temperature not specified in the publication	Trypanosoma brucei
0.00019	-	5-(phenylethynyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]-pyrimidin-2-amine	pH and temperature not specified in the publication	Trypanosoma brucei
0.0002	-	2-amino-6-(3-formylphenyl)-4-(1-pyrrolidinyl)-7H-pyrrolo-[2,3-d]pyrimidine-5-carbonitrile	pH and temperature not specified in the publication	Trypanosoma brucei
0.0002	-	N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	in Creek's minimal medium, pH and temperature not specified in the publication	Trypanosoma brucei
0.00023	-	N-[3-(2,4-diamino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanesulfonamide	pH and temperature not specified in the publication	Trypanosoma brucei
0.00023	-	2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.00024	-	2,4-diamino-6-[(Z)-2-phenylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	pH and temperature not specified in the publication	Trypanosoma brucei
0.00024	-	6-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.00025	-	2-amino-5,6-bis(4-chlorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.00026	-	5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.00027	-	2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.00029	-	5-(3-chlorophenyl)-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.00029	-	N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	in Creek's minimal medium, pH and temperature not specified in the publication	Trypanosoma brucei
0.0003	-	5,6-bis(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.0003	-	6-(4-fluorophenyl)-5-(4-methoxyphenyl)-N4,N4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	in Creek's minimal medium, pH and temperature not specified in the publication	Trypanosoma brucei
0.00032	-	5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.00035	-	N-[3-(2-amino-5-cyano-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanesulfonamide	pH and temperature not specified in the publication	Trypanosoma brucei
0.00035	-	2,4-diamino-6-[(Z)-2-(4-methylphenyl)ethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	pH and temperature not specified in the publication	Trypanosoma brucei
0.0004	-	5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.00047	-	2-amino-5-(3-chlorophenyl)-6-(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.00048	-	5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.0005	-	2-amino-6-(4-fluorophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.00056	-	N4-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.00058	-	6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.00058	-	6-[4-(2-methylpropyl)phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.00059	-	5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.000731	-	2-amino-6-[3-(methanesulfonyl)phenyl]-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	pH and temperature not specified in the publication	Trypanosoma brucei
0.00076	-	2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.0008	-	2-amino-6-bromo-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonitrile	pH and temperature not specified in the publication	Trypanosoma brucei
0.00095	-	2-amino-6-phenyl-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.00106	-	2-amino-5-methyl-6-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.00117	-	2-amino-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]-pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.0012	-	2-amino-5-(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.0012	-	2-amino-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.00128	-	6-[4-(methanesulfonyl)phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine	pH and temperature not specified in the publication	Trypanosoma brucei
0.0013	-	2-amino-5-(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.002	0.01	2-amino-5,6-bis(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.003317	-	2,4-diamino-6-bromo-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	pH and temperature not specified in the publication	Trypanosoma brucei
0.0042	-	4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine	pH and temperature not specified in the publication	Trypanosoma brucei
0.0049	-	2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	pH and temperature not specified in the publication	Trypanosoma brucei
0.0073	-	2-amino-5-methyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	pH and temperature not specified in the publication	Trypanosoma brucei
0.0086	-	4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine	pH and temperature not specified in the publication	Trypanosoma brucei
0.0088	-	2-amino-4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	pH and temperature not specified in the publication	Trypanosoma brucei
0.01	-	2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one	above, pH and temperature not specified in the publication	Trypanosoma brucei
0.01	-	2-amino-6-[4-[3-(4-morpholinyl)propyl]phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one trifluoroacetate	above, in Creek's minimal medium, pH and temperature not specified in the publication	Trypanosoma brucei
0.05	-	5-(4-fluorophenyl)-4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine	above, pH and temperature not specified in the publication	Trypanosoma brucei
0.075	-	2-amino-4-methoxy-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	above, pH and temperature not specified in the publication	Trypanosoma brucei
0.1	-	2-amino-4-[(propan-2-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	above, pH and temperature not specified in the publication	Trypanosoma brucei
0.1	-	2-amino-4-(cyclopentyloxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	above, pH and temperature not specified in the publication	Trypanosoma brucei

IC50 Value

IC50 Value	IC50 Value Maximum	Comment	Organism	Inhibitor
0.00008	-	pH and temperature not specified in the publication	Trypanosoma brucei	6-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.000083	-	pH and temperature not specified in the publication	Trypanosoma brucei	6-(4-fluorophenyl)-5-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00014	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-6-phenyl-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.00015	-	pH and temperature not specified in the publication	Trypanosoma brucei	5,6-bis(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00019	-	pH and temperature not specified in the publication	Trypanosoma brucei	5,6-bis(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00019	-	pH and temperature not specified in the publication	Trypanosoma brucei	5-(3-chlorophenyl)-6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00025	-	pH and temperature not specified in the publication	Trypanosoma brucei	6-(4-bromophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00041	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-5,6-diphenyl-3,7-dihydro-4H-pyrrolo[2,3-d]-pyrimidin-4-one
0.00043	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-5,6-bis(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.00058	-	pH and temperature not specified in the publication	Trypanosoma brucei	5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00061	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-6-(4-fluorophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.00065	-	pH and temperature not specified in the publication	Trypanosoma brucei	5-(phenylethynyl)-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]-pyrimidin-2-amine
0.00074	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-5,6-bis(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.00077	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-5-(3-chlorophenyl)-6-(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.00103	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-6-(4-fluorophenyl)-5-(4-methoxyphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.00104	-	above, pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-4-(cyclopentyloxy)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.00131	-	pH and temperature not specified in the publication	Trypanosoma brucei	5,6-bis(4-fluorophenyl)-N~4~,N~4~-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00134	-	in Creek's minimal medium, pH and temperature not specified in the publication	Trypanosoma brucei	6-(4-fluorophenyl)-N~4~,N~4~-dimethyl-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00139	-	pH and temperature not specified in the publication	Trypanosoma brucei	6-[4-(2-methylpropyl)phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00142	-	pH and temperature not specified in the publication	Trypanosoma brucei	5-(4-fluorophenyl)-4-isopropyloxy-7H-pyrrolo[2,3-d]-pyrimidin-2-amine
0.00156	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-5,6-bis(4-chlorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.00178	-	in Creek's minimal medium, pH and temperature not specified in the publication	Trypanosoma brucei	N4-cyclohexyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00202	-	pH and temperature not specified in the publication	Trypanosoma brucei	5,6-bis(4-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00213	-	above, pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-6-[4-(2-methylpropyl)phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.00253	-	above, pH and temperature not specified in the publication	Trypanosoma brucei	5-(4-fluorophenyl)-4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
0.00308	-	in Creek's minimal medium, pH and temperature not specified in the publication	Trypanosoma brucei	5,6-bis(4-chlorophenyl)-N~4~,N~4~-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.0032	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-6-(4-bromophenyl)-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.00343	-	in Creek's minimal medium, pH and temperature not specified in the publication	Trypanosoma brucei	6-(4-fluorophenyl)-5-(4-methoxyphenyl)-N4,N4-dimethyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00603	-	pH and temperature not specified in the publication	Trypanosoma brucei	N-[3-(2,4-diamino-5-cyano-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanesulfonamide
0.00611	-	in Creek's minimal medium, pH and temperature not specified in the publication	Trypanosoma brucei	N4,N4-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.00616	-	pH and temperature not specified in the publication	Trypanosoma brucei	6-[4-(methanesulfonyl)phenyl]-5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.0073	-	above, pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-4-[(propan-2-yl)oxy]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.00775	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-6-(3-formylphenyl)-4-(1-pyrrolidinyl)-7H-pyrrolo-[2,3-d]pyrimidine-5-carbonitrile
0.0104	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-5-methyl-6-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.0115	-	pH and temperature not specified in the publication	Trypanosoma brucei	N~4~-cyclohexyl-5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.01433	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.01447	-	pH and temperature not specified in the publication	Trypanosoma brucei	5-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.01708	-	pH and temperature not specified in the publication	Trypanosoma brucei	2,4-diamino-6-[(Z)-2-(4-methylphenyl)ethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.0201	-	above, in Creek's minimal medium, pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-6-[4-[3-(4-morpholinyl)propyl]phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one trifluoroacetate
0.02511	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-5-(4-fluorophenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.04101	-	pH and temperature not specified in the publication	Trypanosoma brucei	5-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.05334	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.0624	-	pH and temperature not specified in the publication	Trypanosoma brucei	2,4-diamino-6-bromo-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.07252	-	pH and temperature not specified in the publication	Trypanosoma brucei	2,4-diamino-6-[(E)-2-phenylethenyl]-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonitrile
0.08006	-	pH and temperature not specified in the publication	Trypanosoma brucei	4-(thiomorpholin-4-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
0.09352	-	pH and temperature not specified in the publication	Trypanosoma brucei	5-(2-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.1	-	above, pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-6-[4-(methanesulfonyl)phenyl]-5-phenyl-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.125	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-5-(4-methylphenyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one
0.139	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-6-bromo-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]-pyrimidine-5-carbonitrile
0.17	-	pH and temperature not specified in the publication	Trypanosoma brucei	2,4-diamino-6-[(Z)-2-phenylethenyl]-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
0.17	-	pH and temperature not specified in the publication	Trypanosoma brucei	5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
0.34	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-4-(1-pyrrolidinyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
2.44	-	pH and temperature not specified in the publication	Trypanosoma brucei	2,4-diamino-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
7.62	-	pH and temperature not specified in the publication	Trypanosoma brucei	2-amino-5-(2-phenylethyl)-3,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one

General Information

General Information	Comment	Organism
additional information	organization of the TbPTR1 active site, overview	Trypanosoma brucei