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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
3NLQ	2.15 Å	EC: 1.14.13.39	STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE D597N/M336V MUTA DOMAIN IN COMPLEX WITH 6-{{(3'R,4'R)-3'-[2"-(3'''- F LUOROPHENETHYLAMINO)ETHOXY]PYRROLIDIN-4'-YL}METHYL}-4-METH2- AMINE	RATTUS NORVEGICUS	NITRIC OXIDE SYNTHASE INHIBITOR HEME ENZYME OXIDOREDUCTAS
Ref.:	EXPLORATION OF THE ACTIVE SITE OF NEURONAL NITRIC O SYNTHASE BY THE DESIGN AND SYNTHESIS OF PYRROLIDINO 2-AMINOPYRIDINE DERIVATIVES. J.MED.CHEM. V. 53 7804 2010

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
ACT	A:860; B:860;	Invalid; Invalid;	none; none;	submit data	59.044	C2 H3 O2	CC(=O...
EDO	A:890;	Invalid;	none;	submit data	62.068	C2 H6 O2	C(CO)...
H4B	A:760; B:760;	Valid; Valid;	none; none;	submit data	241.247	C9 H15 N5 O3	C[C@@...
HEM	A:750; B:750;	Part of Protein; Part of Protein;	none; none;	submit data	616.487	C34 H32 Fe N4 O4	Cc1c2...
JRR	A:800; B:800;	Valid; Valid;	none; none;	submit data	372.48	C21 H29 F N4 O	Cc1cc...
ZN	A:900;	Part of Protein;	none;	submit data	65.409	Zn	[Zn+2...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4KCL	1.93 Å	EC: 1.14.13.39	STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN C WITH N-(4-(2-((3-(THIOPHENE-2-CARBOXIMIDAMIDO)BENZYL)AMINO)P HENYL)THIOPHENE-2-CARBOXIMIDAMIDE	RATTUS NORVEGICUS	NITRIC OXIDE SYNTHASE OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITCOMPLEX
Ref.:	POTENT AND SELECTIVE DOUBLE-HEADED THIOPHENE-2-CARBOXIMIDAMIDE INHIBITORS OF NEURONAL OXIDE SYNTHASE FOR THE TREATMENT OF MELANOMA. J.MED.CHEM. V. 57 686 2014

Members (278)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 10 families.
1	5UNZ	Ki = 0.061 uM	M4R	C22 H24 N4 O	Cc1cc(nc2c....
2	4UGZ	Ki = 130 nM	4V4	C18 H26 N4	Cc1cc(nc(c....
3	6AUV	Ki = 47 nM	W79	C21 H24 N4	Cc1cc(nc(c....
4	3NLP	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
5	4JSE	Ki = 48 nM	QJ2	C17 H24 N4	Cc1cc(nc(c....
6	6AV1	Ki = 30 nM	W69	C19 H26 F N3	Cc1cc(nc(c....
7	1ZZR	Ki = 42 uM	DP9	C11 H22 N8 O4	C1[C@H](CN....
8	3NLW	Ki = 2.7 uM	3XF	C20 H33 F2 N5 O	Cc1cc(nc(c....
9	4CTX	Ki = 70 nM	71S	C22 H28 N6	Cc1cc(nc(c....
10	4D7O	Ki = 525 nM	0GD	C21 H22 F N3	Cc1cc(nc(c....
11	4CAQ	Ki = 0.066 uM	M68	C19 H20 Cl N3	c1cc(cc(c1....
12	3N5Y	Ki = 99 nM	XFL	C21 H25 N5	Cc1cc(nc(c....
13	5UNS	Ki = 0.054 uM	8J4	C20 H23 N3 O	CCc1cc(cc(....
14	5FVW	Ki = 13 nM	W66	C17 H24 N4	Cc1cc(nc(c....
15	5VUT	Ki = 0.019 uM	9OG	C20 H20 N4	Cc1cc(nc2c....
16	2HX3	Ki = 0.12 uM	3HX	C8 H21 N7 O3	[H]/N=C(/N....
17	3JX3	Ki = 180 nM	JI5	C21 H30 F N5	Cc1cc(nc(c....
18	4UPN	Ki = 0.0147 uM	7LN	C27 H29 N5 O2 S2	c1cc(cc(c1....
19	5ADI	Ki = 0.507 uM	TUE	C17 H16 N4 O	C=NCc1cc(c....
20	4KCN	Ki = 0.011 uM	5H3	C20 H20 F N3 S	[H]/N=C(c1....
21	1LZX	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
22	1MMW	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
23	6AV4	Ki = 100 nM	W80	C21 H24 N4	Cc1cc(nc(c....
24	5VUY	Ki = 0.274 uM	P64	C20 H24 N4	CN(C)c1ccc....
25	4UH4	Ki = 24 nM	Q1T	C19 H25 N5	Cc1cc(nc(c....
26	4CX4	-	HW9	C22 H32 N4 O	Cc1ccnc(c1....
27	3JT6	Ki = 32 uM	JM6	C10 H21 N3 O2 S	[H]/N=C(/C....
28	5UNY	Ki = 0.05 uM	M4R	C22 H24 N4 O	Cc1cc(nc2c....
29	3JX1	Ki = 290 nM	JI5	C21 H30 F N5	Cc1cc(nc(c....
30	3NLM	Ki = 7.2 nM	JRR	C21 H29 F N4 O	Cc1cc(nc(c....
31	4CAM	Ki = 0.075 uM	M87	C18 H18 F N3	c1cc(cc(c1....
32	1OM5	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
33	4D31	Ki = 0.183 uM	OLW	C17 H16 N6	c1cc(cc(c1....
34	5AD8	Ki = 0.16 uM	9M9	C17 H17 N3 O	c1cc(cc(c1....
35	5UNU	Ki = 0.033 uM	8EY	C20 H20 N4 O	Cc1cc(nc2c....
36	3UFT	Ki = 0.117 uM	HW7	C21 H27 Cl F N3 O2	Cc1cc(nc(c....
37	3N63	-	XFN	C22 H27 N5	Cc1cc(nc(c....
38	3TYL	Ki = 0.41 uM	AXW	C20 H27 F N4 O	Cc1cc(nc(c....
39	4EUX	Ki = 0.038 uM	HW1	C22 H33 N5 O	Cc1cc(nc(c....
40	1QWC	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
41	4IMT	Ki = 0.11 uM	1EW	C25 H33 N5	Cc1cc(nc(c....
42	3JTA	Ki = 32 uM	JM6	C10 H21 N3 O2 S	[H]/N=C(/C....
43	3Q99	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
44	3DQR	Ki = 0.388 uM	JI2	C12 H21 N5	c1cc(nc(c1....
45	5VV4	Ki = 0.02 uM	9P7	C20 H20 N4	Cc1cc(ccc1....
46	3B3M	Ki = 47.94 uM	JI1	C13 H22 N4 O	c1cc(nc(c1....
47	5G0O	Ki = 748 nM	W64	C18 H25 N5	Cc1cc(nc(c....
48	6AUR	Ki = 41 nM	W68	C18 H24 F N3	Cc1cc(nc(c....
49	4K5F	Ki = 232 nM	Q14	C18 H27 N5 O2	Cc1cc(nc(c....
50	5FVO	-	D8H	C17 H24 N4 O	Cc1cc(nc(c....
51	3JT7	Ki = 59 uM	JM5	C10 H21 N3 O2 S	[H]/N=C(/C....
52	5AD5	Ki = 0.332 uM	M94	C19 H21 N3 O	CNCCc1cccc....
53	6AUW	Ki = 57 nM	W80	C21 H24 N4	Cc1cc(nc(c....
54	4K5E	Ki = 32 nM	1Q7	C17 H25 N5 O2	Cc1cc(nc(c....
55	6AV2	-	BY7	C20 H26 F3 N3	Cc1cc(nc(c....
56	4JSF	Ki = 86 nM	QJ4	C19 H28 N4	Cc1cc(nc(c....
57	1M00	-	BHH	C5 H13 N3 O	CCCCNC(=N)....
58	3JWU	Ki = 171 nM	J11	C21 H30 F N5	Cc1cc(nc(c....
59	5FVQ	Ki = 43 nM	W64	C18 H25 N5	Cc1cc(nc(c....
60	3UFU	Ki = 0.074 uM	HW8	C21 H30 N4 O	Cc1cc(nc(c....
61	5VV1	Ki = 0.073 uM	9OS	C19 H22 N4 O	COc1ccncc1....
62	1ZVI	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
63	5VUV	Ki = 0.768 uM	M62	C16 H14 F N3	c1cc(cc(c1....
64	3NLN	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
65	1OM4	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
66	3B3P	Ki = 0.25 uM	JI7	C20 H28 Cl N5	Cc1cc(nc(c....
67	3N5V	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
68	4CTW	Ki = 24 nM	S71	C22 H28 N6	Cc1cc(nc(c....
69	4CTP	Ki = 144 nM	2IK	C22 H27 N5	Cc1cc(nc(c....
70	4CTT	Ki = 903 nM	S7K	C22 H26 N4	Cc1ccnc(c1....
71	4FVW	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
72	6AV5	Ki = 83 nM	W82	C22 H24 F N3	Cc1cc(nc(c....
73	3HSO	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
74	6CIC	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
75	5ADB	Kd = 0.058 uM	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
76	4CTR	Ki = 70 nM	S20	C22 H26 N4 O	Cc1cc(nc(c....
77	1LZZ	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
78	3TYN	Ki = 0.39 uM	CXW	C20 H28 N4 O2	Cc1cc(nc(c....
79	4KCM	Ki = 0.049 uM	1QF	C27 H29 N5 S2	[H]/N=C(c1....
80	3UFR	Ki = 0.637 uM	H5W	C21 H26 F N3 O	Cc1cc(nc(c....
81	4K5D	Ki = 382 nM	1Q6	C17 H25 N5 O2	Cc1cc(nc(c....
82	3B3N	Ki = 388 nM	JI2	C12 H21 N5	c1cc(nc(c1....
83	5AGN	Ki = 1.5 uM	4JK	C7 H15 N3 O3	[H]/N=C(CO....
84	4UH6	Ki = 55 nM	Q1T	C19 H25 N5	Cc1cc(nc(c....
85	5UNX	Ki = 0.042 uM	8F1	C21 H22 N4 O	Cc1cc(nc2c....
86	3JWT	Ki = 5.3 nM	JI5	C21 H30 F N5	Cc1cc(nc(c....
87	3JX5	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
88	3NNY	Ki = 50 nM	59R	C20 H27 F N4 O	c1cc(cc(c1....
89	4CTV	Ki = 123 nM	7S7	C22 H28 N6	Cc1cc(nc(c....
90	2G6K	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
91	1VAG	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
92	4UCH	Ki = 0.138 uM	OLW	C17 H16 N6	c1cc(cc(c1....
93	3N5X	Ki = 103 nM	XFK	C21 H25 N5	Cc1cc(nc(c....
94	5VV3	Ki = 0.032 uM	P94	C19 H18 N4	c1cc(ccc1C....
95	5VUM	Ki = 0.038 uM	XH8	C18 H20 N4	c1cc(cnc1)....
96	6CID	-	F2J	C18 H20 N4 S	[H]/N=C(c1....
97	6AUS	Ki = 252 nM	BYV	C19 H24 N4	Cc1cc(nc(c....
98	3NLK	Ki = 116 nM	JSS	C21 H29 F N4 O	Cc1cc(nc(c....
99	3N61	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
100	5UO6	Ki = 0.065 uM	M4R	C22 H24 N4 O	Cc1cc(nc2c....
101	4FVX	Ki = 26 uM	2KJ	C8 H18 N4 O3	[H]/N=C(NC....
102	1P6J	Ki = 0.1 uM	DP9	C11 H22 N8 O4	C1[C@H](CN....
103	4JSG	Ki = 60 nM	Q10	C16 H21 N3 O2	Cc1cc(nc(c....
104	4GQE	Ki = 7.4 mM	6KJ	C10 H20 N4 O3	[H]/N=C(NO....
105	4IMU	Ki = 0.053 uM	1ET	C23 H29 N5	Cc1cc(nc(c....
106	5VUI	Ki = 0.575 uM	M62	C16 H14 F N3	c1cc(cc(c1....
107	3N65	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
108	2G6H	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
109	4D1N	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
110	2G6L	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
111	6AUU	Ki = 541 nM	BY7	C20 H26 F3 N3	Cc1cc(nc(c....
112	3HSN	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
113	3NLR	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
114	3NLZ	Ki = 0.085 uM	3XD	C21 H28 F2 N4 O	Cc1cc(nc(c....
115	5UO4	Ki = 0.061 uM	8F1	C21 H22 N4 O	Cc1cc(nc2c....
116	5VUU	Ki = 0.025 uM	9OJ	C21 H22 N4	Cc1cc(ccc1....
117	3N62	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
118	5ADC	Ki = 0.043 uM	TUE	C17 H16 N4 O	C=NCc1cc(c....
119	5VUZ	Ki = 0.108 uM	XH8	C18 H20 N4	c1cc(cnc1)....
120	4V3U	Ki = 0.125 uM	EG8	C17 H20 N6	c1cc(cnc1)....
121	4D32	Ki = 0.06 uM	7F5	C19 H22 F N5	Cc1cncn1c2....
122	5VUO	Ki = 0.05 uM	9OS	C19 H22 N4 O	COc1ccncc1....
123	4KCO	Ki = 0.073 uM	5H4	C22 H24 F N3 S	[H]/N=C(c1....
124	4FVY	-	3KJ	C7 H16 N4 O3	[H]/N=C(/N....
125	5AD7	Ki = 0.569 uM	M85	C18 H19 N3 O	CNCc1cccc(....
126	5AGK	Ki = 53 uM	RGE	C8 H17 N3 O3 S	[H]/N=C(CS....
127	4KCK	Ki = 0.005 uM	H45	C25 H25 N5 S2	[H]/N=C(c1....
128	5UO5	Ki = 0.074 uM	M4R	C22 H24 N4 O	Cc1cc(nc2c....
129	3UFS	Ki = 0.23 uM	HW6	C22 H29 Cl F N3 O	Cc1cc(nc(c....
130	5VUX	Ki = 0.764 uM	9P1	C19 H22 N4	CN(C)c1ccc....
131	6AUT	Ki = 26 nM	W69	C19 H26 F N3	Cc1cc(nc(c....
132	3JX6	Ki = 2180 nM	JI5	C21 H30 F N5	Cc1cc(nc(c....
133	4D2Y	Ki = 0.018 uM	L5Z	C19 H20 F N5	c1cc(cc(c1....
134	1K2U	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
135	1ZZU	Ki = 63.3 uM	DP1	C10 H22 N8 O4	C(C[C@@H](....
136	4JSH	Ki = 117 nM	Q15	C19 H25 N3 O2	Cc1cc(nc(c....
137	4IMW	Ki = 0.056 uM	1EV	C23 H25 N5	Cc1cc(nc(c....
138	3UFP	Ki = 0.922 uM	H4W	C22 H30 F N3 O	Cc1cc(nc(c....
139	5G0N	Ki = 139.4 nM	EXI	C17 H25 N5	Cc1cc(nc(c....
140	2G6I	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
141	3N60	Ki = 85 nM	XFN	C22 H27 N5	Cc1cc(nc(c....
142	5VV5	Ki = 0.03 uM	9OJ	C21 H22 N4	Cc1cc(ccc1....
143	5VUK	Ki = 0.522 uM	9P1	C19 H22 N4	CN(C)c1ccc....
144	5AD4	Ki = 0.468 uM	6M8	C20 H23 N3 O	CN(C)CCc1c....
145	3PNF	Ki = 0.17 uM	8BX	C21 H27 Cl F2 N4 O	Cc1cc(nc(c....
146	3SVP	Ki = 0.077 uM	JK5	C21 H26 Cl F3 N4 O	Cc1cc(nc(c....
147	6AUQ	Ki = 48 nM	BYJ	C18 H25 N3	Cc1cc(nc(c....
148	5UO3	-	8EY	C20 H20 N4 O	Cc1cc(nc2c....
149	4CX3	-	HW8	C21 H30 N4 O	Cc1cc(nc(c....
150	5AGP	Ki = 0.42 uM	VUR	C7 H15 N3 O2 S	[H]/N=C(CS....
151	4JSI	Ki = 40 nM	Q05	C22 H24 F N3 O	Cc1cc(nc(c....
152	5VUW	Ki = 1.02 uM	JHT	C19 H22 N4	CN(C)c1ccc....
153	4FVZ	Ki = 28 uM	4KJ	C8 H16 N4 O3	[H]/N=C(/N....
154	3JWV	Ki = 18.9 nM	J14	C21 H30 F N5	Cc1cc(nc(c....
155	6AUZ	Ki = 65 nM	W68	C18 H24 F N3	Cc1cc(nc(c....
156	2HX4	Ki = 0.31 uM	4HX	C11 H22 N8 O5	[H]/N=C(/N....
157	5ADF	Ki = 0.657 uM	2SN	C19 H22 N4	CN(C)Cc1cc....
158	5VV0	Ki = 0.13 uM	9OM	C19 H22 N4	Cc1ccncc1C....
159	4D3B	Ki = 0.368 uM	6J0	C17 H19 F N6	c1cc(cc(c1....
160	3HSP	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
161	5FVT	Ki = 25 nM	W67	C18 H26 N4	Cc1cc(nc(c....
162	4V3X	Ki = 0.138 uM	4E8	C18 H20 F N5	c1cc(cc(c1....
163	5AGL	Ki = 58.3 uM	CCW	C8 H17 N3 O4 S	CS(=O)(=O)....
164	4D30	Ki = 0.054 uM	EG8	C17 H20 N6	c1cc(cnc1)....
165	4CTU	Ki = 53 nM	S42	C23 H29 N5	Cc1cc(nc(c....
166	5UO0	Ki = 0.05 uM	8FD	C22 H24 N4 O	Cc1cc(nc2c....
167	3N2R	Ki = 3 uM	XJH	C22 H23 N3 O2	c1ccc(cc1)....
168	3NLX	Ki = 0.036 uM	3XB	C21 H27 F3 N4 O	Cc1cc(nc(c....
169	4CAP	Ki = 0.06 uM	ML6	C19 H20 F N3	c1cc(cc(c1....
170	5FVU	Ki = 84 nM	W64	C18 H25 N5	Cc1cc(nc(c....
171	3NLJ	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
172	5AGM	Ki = 22.9 uM	WT2	C7 H13 N3 O3	C(C[C@@H](....
173	4KCJ	Ki = 0.13 uM	H36	C24 H22 N4 O2 S2	[H]/N=C(Nc....
174	5FVX	Ki = 37 nM	W67	C18 H26 N4	Cc1cc(nc(c....
175	4UPO	Ki = 0.0281 uM	6E5	C29 H31 N5 O2 S2	[H]/N=C(/c....
176	1K2T	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
177	5VUN	Ki = 0.09 uM	9OM	C19 H22 N4	Cc1ccncc1C....
178	3JT4	Ki = 33 uM	JM8	C10 H21 N3 O2 S	[H]/N=C(CC....
179	5ADD	-	M85	C18 H19 N3 O	CNCc1cccc(....
180	4V3W	Ki = 0.183 uM	E2Z	C17 H18 F N5	c1cc(cc(c1....
181	3NLQ	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
182	5VUS	Ki = 0.031 uM	9PM	C19 H17 Cl N4	c1cc(cc2c1....
183	4UH5	Ki = 59 nM	EXI	C17 H25 N5	Cc1cc(nc(c....
184	3JWS	Ki = 52.2 nM	JI4	C21 H30 F N5	Cc1cc(nc(c....
185	3UFV	Ki = 0.031 uM	HW9	C22 H32 N4 O	Cc1ccnc(c1....
186	5UNV	Ki = 0.033 uM	8J7	C20 H23 N3	Cc1cc(nc2c....
187	3NNZ	Ki = 220 nM	59W	C20 H27 F N4 O	c1cc(cc(c1....
188	3JX4	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
189	3N64	-	XFN	C22 H27 N5	Cc1cc(nc(c....
190	5VUJ	Ki = 0.421 uM	JHT	C19 H22 N4	CN(C)c1ccc....
191	3JT3	Ki = 0.9 uM	JM2	C8 H17 N3 O2 S	[H]/N=C(CS....
192	5ADE	-	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
193	2G6J	-	7AP	C9 H12 N6 O2	C[C@@H]([C....
194	3UFQ	Ki = 15.402 uM	HW5	C22 H28 F N3 O	Cc1cc(nc(c....
195	3TYM	Ki = 0.82 uM	08R	C21 H30 N4 O2	Cc1cc(nc(c....
196	4JSJ	Ki = 140 nM	QJ7	C21 H23 F N4 O	Cc1cc(nc(c....
197	4UH1	Ki = 17 nM	EXI	C17 H25 N5	Cc1cc(nc(c....
198	5AD9	Ki = 0.283 uM	8VJ	C19 H21 N3 O	CN(C)Cc1cc....
199	3SVQ	Ki = 0.18 uM	JK4	C21 H26 F4 N4 O	Cc1cc(nc(c....
200	1P6I	Ki = 0.15 uM	DP3	C8 H21 N7 O2	C(C[C@@H](....
201	3Q9A	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
202	4CAO	Ki = 0.164 uM	M46	C20 H22 F N3	c1cc(cc(c1....
203	4V3Y	Ki = 0.032 uM	HLW	C18 H20 Cl N5	c1cc(cc(c1....
204	5VUR	Ki = 0.021 uM	9P7	C20 H20 N4	Cc1cc(ccc1....
205	5G0P	Ki = 108 nM	W67	C18 H26 N4	Cc1cc(nc(c....
206	5UO2	Ki = 0.125 uM	8J4	C20 H23 N3 O	CCc1cc(cc(....
207	2G6N	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
208	5ADG	Ki = 0.295 uM	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
209	4UPP	Ki = 0.0282 uM	PQW	C27 H27 N5 O2 S2	[H]/N=C(/c....
210	4LUX	Kd = 0.1 uM	QJ8	C19 H27 N5 O2	Cc1cc(nc(c....
211	4CX5	-	HW8	C21 H30 N4 O	Cc1cc(nc(c....
212	4V3V	Ki = 0.138 uM	S8F	C17 H18 F N5	c1cc(cc(c1....
213	6AUX	Ki = 44 nM	W82	C22 H24 F N3	Cc1cc(nc(c....
214	4K5G	Ki = 37 nM	Q13	C18 H27 N5 O2	Cc1cc(nc(c....
215	3NLY	Ki = 0.16 uM	3XC	C21 H27 F3 N4 O	Cc1cc(nc(c....
216	5FVP	Ki = 547 nM	WOS	C17 H22 N4 O	Cc1cc(nc(c....
217	3JT5	Ki = 8.6 uM	JM7	C9 H19 N3 O2 S	[H]/N=C(CS....
218	5AGO	Ki = 0.42 uM	VUR	C7 H15 N3 O2 S	[H]/N=C(CS....
219	5VUP	Ki = 0.216 uM	9P4	C18 H19 F N4	c1cc(cc2c1....
220	5FW0	Ki = 1768 nM	W30	C17 H24 N4 O	Cc1cc(nc(c....
221	4KCI	Ki = 0.739 uM	1QE	C24 H22 N4 S2	[H]/N=C(Nc....
222	4UPM	Ki = 0.059 uM	I5U	C27 H29 N5 O2 S2	[H]/N=C(c1....
223	3PNE	Ki = 0.086 uM	8AX	C21 H27 Cl F2 N4 O	Cc1cc(nc(c....
224	5UNW	Ki = 0.036 uM	8F7	C21 H22 N4	Cc1cc(nc2c....
225	4V3Z	Ki = 0.056 uM	9HL	C19 H20 F N5	c1cc(cc(c1....
226	5FVR	Ki = 72 nM	H65	C19 H26 N4	Cc1cc(nc(c....
227	4CDT	Ki = 0.049 uM	M48	C19 H20 F N3	c1cc(cc(c1....
228	4FW0	Ki > 10 mM	5KJ	C7 H16 N4 O3	[H]/N=C(NO....
229	4UH2	Ki = 67 nM	S84	C19 H25 F3 N4	Cc1cc(nc(c....
230	5UO7	Ki = 0.046 uM	8FD	C22 H24 N4 O	Cc1cc(nc2c....
231	3JT8	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
232	1ZVL	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
233	4CTQ	Ki = 122 nM	S5D	C22 H27 N5	Cc1cc(nc(c....
234	4IMS	Ki = 0.54 uM	12S	C25 H33 N5	Cc1cc(nc(c....
235	3TYO	Ki = 0.4 uM	DXW	C18 H26 N4 O2	Cc1cc(nc(c....
236	1RS7	-	D7P	C15 H25 N7 O4	c1ccc(cc1)....
237	4KCL	Ki = 0.005 uM	H44	C25 H25 N5 S2	[H]/N=C(/c....
238	3NLO	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
239	4UH0	Ki = 35 nM	SKO	C17 H25 N5	Cc1cc(nc(c....
240	3UFO	Ki = 9.057 uM	HW4	C22 H30 F N3 O	Cc1cc(nc(c....
241	4D2Z	Ki = 0.15 uM	K9L	C19 H20 F N5	c1cc(cc(c1....
242	5UNR	Ki = 0.035 uM	8EV	C19 H18 N4 O	CNCc1cc(cc....
243	5ADA	Ki = 0.375 uM	2SN	C19 H22 N4	CN(C)Cc1cc....
244	1P6K	Ki = 67 uM	DP1	C10 H22 N8 O4	C(C[C@@H](....
245	5FVV	Ki = 89 nM	H65	C19 H26 N4	Cc1cc(nc(c....
246	6AV0	Ki = 516 nM	BYV	C19 H24 N4	Cc1cc(nc(c....
247	3JX2	Ki = 1190 nM	JI4	C21 H30 F N5	Cc1cc(nc(c....
248	3UFW	Ki = 0.03 uM	HW0	C21 H31 N5 O	Cc1cc(nc(c....
249	5VV2	Ki = 0.164 uM	9P4	C18 H19 F N4	c1cc(cc2c1....
250	5UO1	Ki = 0.036 uM	8EV	C19 H18 N4 O	CNCc1cc(cc....
251	3N5W	Ki = 25 nM	XFJ	C21 H25 N5	Cc1cc(nc(c....
252	3PNG	Ki = 0.026 uM	8CX	C21 H28 F2 N4 O	Cc1cc(nc(c....
253	3B3O	Ki = 0.085 uM	JI3	C20 H28 Cl N5	Cc1cc(nc(c....
254	4C39	Ki = 9.7 nM	Q16	C19 H27 N5 O2	Cc1cc(nc(c....
255	5VUL	Ki = 0.036 uM	P64	C20 H24 N4	CN(C)c1ccc....
256	1K2R	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
257	1QW6	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
258	3JT9	Ki = 8.6 uM	JM7	C9 H19 N3 O2 S	[H]/N=C(CS....
259	3JX0	Ki = 1190 nM	JI4	C21 H30 F N5	Cc1cc(nc(c....
260	5AD6	Ki = 0.179 uM	7M3	C19 H21 N3 O	CN(C)Cc1cc....
261	1MMV	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
262	4UH3	Ki = 34 nM	S85	C18 H25 F N4	Cc1cc(nc(c....
263	1ZZQ	Ki = 20 uM	DP9	C11 H22 N8 O4	C1[C@H](CN....
264	6AV3	Ki = 82 nM	W79	C21 H24 N4	Cc1cc(nc(c....
265	1P6H	Ki = 0.3 uM	DP1	C10 H22 N8 O4	C(C[C@@H](....
266	6AUY	Ki = 55 nM	BYJ	C18 H25 N3	Cc1cc(nc(c....
267	5FVS	Ki = 16 nM	W66	C17 H24 N4	Cc1cc(nc(c....
268	3NM0	Ki = 0.17 uM	3XE	C21 H32 F2 N4 O	C[C@H]1C[C....
269	3N66	-	XFN	C22 H27 N5	Cc1cc(nc(c....
270	5VUQ	Ki = 0.037 uM	P94	C19 H18 N4	c1cc(ccc1C....
271	2G6M	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
272	3NLV	Ki = 0.39 uM	3XA	C21 H27 F3 N4 O	Cc1cc(nc(c....
273	3N5Z	Ki = 195 nM	XFM	C21 H25 N5	Cc1cc(nc(c....
274	1RS6	-	DP2	C12 H28 N8 O4	C(CCN)C[C@....
275	4CAN	Ki = 0.254 uM	M7K	C18 H18 F N3	c1cc(cc(c1....
276	4CX6	-	Q16	C19 H27 N5 O2	Cc1cc(nc(c....
277	4KCH	Ki = 0.787 uM	H38	C22 H18 N4 S2	[H]/N=C(Nc....
278	5UNT	Ki = 0.039 uM	8J1	C19 H21 N3 O	Cc1cc(nc2c....

70% Homology Family (448)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 7 families.
1	4UPR	Ki = 16.68 uM	7LN	C27 H29 N5 O2 S2	c1cc(cc(c1....
2	1FOJ	-	7NI	C7 H5 N3 O2	c1cc2cn[nH....
3	3N6A	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
4	1ED5	-	NRG	C6 H13 N5 O4	[H]/N=C(NC....
5	5UO9	Ki = 43 uM	8J4	C20 H23 N3 O	CCc1cc(cc(....
6	6CIF	-	F2J	C18 H20 N4 S	[H]/N=C(c1....
7	1Q2O	Ki = 9.5 uM	DP1	C10 H22 N8 O4	C(C[C@@H](....
8	4D36	Ki = 8.1 uM	HLW	C18 H20 Cl N5	c1cc(cc(c1....
9	1DM7	-	HRG	C7 H16 N4 O2	C(CCNC(=N)....
10	5NSE	-	HAR	C6 H14 N4 O3	C(C[C@@H](....
11	3NLF	Ki = 18.78 uM	JRS	C21 H29 F N4 O	Cc1cc(nc(c....
12	4CWW	Ki = 45.2 uM	HW9	C22 H32 N4 O	Cc1ccnc(c1....
13	1M9K	Kd ~ 250 uM	7NI	C7 H5 N3 O2	c1cc2cn[nH....
14	3N67	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
15	4UHA	Ki = 24950 nM	S49	C29 H33 N5 O4 S	[H]/N=C(/c....
16	1FOP	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
17	4D1P	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
18	5VVD	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
19	3JWZ	Ki = 57100 nM	J14	C21 H30 F N5	Cc1cc(nc(c....
20	4CU0	Ki = 68520 nM	S71	C22 H28 N6	Cc1cc(nc(c....
21	3N6E	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
22	4NSE	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
23	4D34	Ki = 10.5 uM	E2Z	C17 H18 F N5	c1cc(cc(c1....
24	1FOI	-	14W	C10 H15 N3	[H]/N=C(/C....
25	5FVY	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
26	4IMX	Ki = 26.4 uM	1EV	C23 H25 N5	Cc1cc(nc(c....
27	5ADM	-	9M9	C17 H17 N3 O	c1cc(cc(c1....
28	2G6O	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
29	3JWY	Ki = 34500 nM	J11	C21 H30 F N5	Cc1cc(nc(c....
30	4K5I	Ki = 15213 nM	1Q7	C17 H25 N5 O2	Cc1cc(nc(c....
31	5FJ2	-	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
32	4CWZ	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
33	4CVG	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
34	1D1W	Ki = 0.35 uM	ATQ	C3 H6 N2 S	C1CSC(=N1)....
35	4D39	Ki = 10.5 uM	OLW	C17 H16 N6	c1cc(cc(c1....
36	1ZZS	Ki = 5.1 uM	DP9	C11 H22 N8 O4	C1[C@H](CN....
37	4UPS	Ki = 3.63 uM	6E5	C29 H31 N5 O2 S2	[H]/N=C(/c....
38	5VV8	Ki = 0.092 uM	9P7	C20 H20 N4	Cc1cc(ccc1....
39	4KCQ	Ki = 41.4 uM	1QF	C27 H29 N5 S2	[H]/N=C(c1....
40	4JSK	Ki = 979 nM	QJ2	C17 H24 N4	Cc1cc(nc(c....
41	5ADL	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
42	9NSE	Ki = 0.039 uM	ISU	C3 H8 N2 Se	[H]/N=C(/N....
43	3DQS	Ki = 85.2 uM	JI3	C20 H28 Cl N5	Cc1cc(nc(c....
44	5VV9	Ki = 1.22 uM	9OG	C20 H20 N4	Cc1cc(nc2c....
45	4CUN	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
46	1P6N	Ki = 110 uM	DP9	C11 H22 N8 O4	C1[C@H](CN....
47	5FVZ	Ki = 16637 nM	W67	C18 H26 N4	Cc1cc(nc(c....
48	4CUM	-	WS7	C11 H15 N5 O	CC12CCCCC1....
49	1D1V	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
50	6AV6	Ki = 39505 nM	W68	C18 H24 F N3	Cc1cc(nc(c....
51	4KCS	Ki = 21.7 uM	5H4	C22 H24 F N3 S	[H]/N=C(c1....
52	4K5K	Ki = 2542 nM	Q13	C18 H27 N5 O2	Cc1cc(nc(c....
53	4CWY	Ki = 26.1 uM	HW1	C22 H33 N5 O	Cc1cc(nc(c....
54	3NLG	Ki = 36.19 uM	JSR	C21 H29 F N4 O	Cc1cc(nc(c....
55	3NSE	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
56	4UPQ	Ki = 12.44 uM	I5U	C27 H29 N5 O2 S2	[H]/N=C(c1....
57	1D1Y	-	3BT	C12 H18 N4 S2	[H]/N=C(N)....
58	1DMK	-	AP6	C12 H14 N6	c1ccc(cc1)....
59	4D37	Ki = 4 uM	9HL	C19 H20 F N5	c1cc(cc(c1....
60	6AV7	Ki = 83976 nM	W69	C19 H26 F N3	Cc1cc(nc(c....
61	4UH7	Ki = 20240 nM	4V4	C18 H26 N4	Cc1cc(nc(c....
62	3N5P	Ki = 20000 nM	XFM	C21 H25 N5	Cc1cc(nc(c....
63	3NLD	Ki = 26.2 uM	JSS	C21 H29 F N4 O	Cc1cc(nc(c....
64	4CX2	-	H2B	C9 H13 N5 O3	C[C@@H]([C....
65	4CAR	Ki = 0.485 uM	M87	C18 H18 F N3	c1cc(cc(c1....
66	4JSL	Ki = 2154 nM	QJ4	C19 H28 N4	Cc1cc(nc(c....
67	6NSE	-	GGB	C5 H12 N4 O3	[H]/N=C(N)....
68	5VVB	-	9P7	C20 H20 N4	Cc1cc(ccc1....
69	4K5H	Ki = 26446 nM	1Q6	C17 H25 N5 O2	Cc1cc(nc(c....
70	4C3A	Ki = 6727 nM	Q16	C19 H27 N5 O2	Cc1cc(nc(c....
71	5UOB	Ki = 16.1 uM	M4R	C22 H24 N4 O	Cc1cc(nc2c....
72	1M9J	Kd ~ 0.6 uM	CLW	C7 H4 Cl N O2	c1cc2c(cc1....
73	1FOL	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
74	1D0O	-	INE	C7 H4 Br N3 O2	c1cc2c(c(c....
75	5VV6	Ki = 1.57 uM	P64	C20 H24 N4	CN(C)c1ccc....
76	4JSM	Ki = 10366 nM	QJ7	C21 H23 F N4 O	Cc1cc(nc(c....
77	4UH8	Ki = 12910 nM	EXI	C17 H25 N5	Cc1cc(nc(c....
78	4CX1	-	H2B	C9 H13 N5 O3	C[C@@H]([C....
79	1P6L	Ki = 107 uM	DP1	C10 H22 N8 O4	C(C[C@@H](....
80	1NSE	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
81	4KCR	Ki = 0.9 uM	5H3	C20 H20 F N3 S	[H]/N=C(c1....
82	5VVC	-	9OJ	C21 H22 N4	Cc1cc(ccc1....
83	1ED6	-	ILO	C7 H15 N3 O2	CC(=N)NCCC....
84	1RS8	-	DP2	C12 H28 N8 O4	C(CCN)C[C@....
85	3NLI	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
86	7NSE	-	DA2	C8 H18 N4 O2	[H]/N=C(/N....
87	1DM6	-	PH3	C7 H8 Cl N3 O	c1cc(ccc1N....
88	5UOA	Ki = 5.63 uM	8EY	C20 H20 N4 O	Cc1cc(nc2c....
89	5ADN	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
90	3N6F	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
91	4UH9	Ki = 30238 nM	S85	C18 H25 F N4	Cc1cc(nc(c....
92	1DMJ	-	AP4	C8 H9 N5 O3	C1[C@@H]2C....
93	2NSE	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
94	1D1X	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
95	4LUW	Kd = 2.1 uM	QJ8	C19 H27 N5 O2	Cc1cc(nc(c....
96	3NOS	-	HAR	C6 H14 N4 O3	C(C[C@@H](....
97	3EAH	ic50 = 0.04 uM	327	C10 H14 N2 O S	[H]/N=C/1c....
98	4D35	Ki = 4 uM	4E8	C18 H20 F N5	c1cc(cc(c1....
99	1D0C	-	INE	C7 H4 Br N3 O2	c1cc2c(c(c....
100	4CWV	Ki = 148.9 uM	HW8	C21 H30 N4 O	Cc1cc(nc(c....
101	4K5J	Ki = 20196 nM	Q14	C18 H27 N5 O2	Cc1cc(nc(c....
102	1P6M	Ki = 80 uM	DP3	C8 H21 N7 O2	C(C[C@@H](....
103	5UO8	Ki = 12.3 uM	8EV	C19 H18 N4 O	CNCc1cc(cc....
104	4CUL	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
105	4D3A	Ki = 15.4 uM	7F5	C19 H22 F N5	Cc1cncn1c2....
106	5UOD	-	8EY	C20 H20 N4 O	Cc1cc(nc2c....
107	5VVG	Ki = 0.115 uM	9PM	C19 H17 Cl N4	c1cc(cc2c1....
108	1FOO	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
109	1M9Q	-	5NI	C7 H5 N3 O2	c1cc2c(cc1....
110	3PNH	Ki = 19 uM	8CX	C21 H28 F2 N4 O	Cc1cc(nc(c....
111	4D1O	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
112	4D38	Ki = 10.32 uM	L5Z	C19 H20 F N5	c1cc(cc(c1....
113	5FJ3	Ki = 12.5 uM	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
114	5VVN	Ki = 0.581 uM	P94	C19 H18 N4	c1cc(ccc1C....
115	1DM8	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
116	5UOC	Ki = 22.2 uM	8FD	C22 H24 N4 O	Cc1cc(nc2c....
117	4D33	Ki = 40 uM	6J0	C17 H19 F N6	c1cc(cc(c1....
118	2HX2	Ki = 73 uM	3HX	C8 H21 N7 O3	[H]/N=C(/N....
119	1I83	-	NTU	C18 H38 N4 S2	CS/C(=NCCC....
120	1ED4	Ki = 0.022 uM	IPU	C4 H10 N2 S	CC(C)SC(=N....
121	5VV7	Ki = 1.04 uM	XH8	C18 H20 N4	c1cc(cnc1)....
122	4KCP	Ki = 2.7 uM	H44	C25 H25 N5 S2	[H]/N=C(/c....
123	1RS9	-	D7P	C15 H25 N7 O4	c1ccc(cc1)....
124	4UPT	Ki = 3.34 uM	PQW	C27 H27 N5 O2 S2	[H]/N=C(/c....
125	4CX0	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
126	1M9M	-	6NI	C7 H5 N3 O2	c1cc2cn[nH....
127	3JWX	Ki = 20300 nM	JI5	C21 H30 F N5	Cc1cc(nc(c....
128	4CTZ	Ki = 328000 nM	S7K	C22 H26 N4	Cc1ccnc(c1....
129	5ADK	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
130	3N5S	Ki = 16100 nM	XFK	C21 H25 N5	Cc1cc(nc(c....
131	1ZZT	Ki = 1.1 uM	DP9	C11 H22 N8 O4	C1[C@H](CN....
132	3JWW	Ki = 26400 nM	JI4	C21 H30 F N5	Cc1cc(nc(c....
133	4CTY	Ki = 14390 nM	S5D	C22 H27 N5	Cc1cc(nc(c....
134	5ADJ	-	M94	C19 H21 N3 O	CNCCc1cccc....
135	3N6G	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
136	3NLE	Ki = 19.2 uM	JRR	C21 H29 F N4 O	Cc1cc(nc(c....
137	8NSE	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
138	6CIE	-	7R2	C19 H26 N4 S	[H]/N=C(c1....
139	1DMI	-	BHS	C9 H15 N5 O3	C[C@H]([C@....
140	3NLH	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
141	4CWX	Ki = 33.5 uM	HW0	C21 H31 N5 O	Cc1cc(nc(c....
142	1DWV	-	HAR	C6 H14 N4 O3	C(C[C@@H](....
143	2ORS	-	391	C21 H16 N4 O4	Cc1cc(nc(n....
144	1M8D	Kd ~ 4.3 uM	CLW	C7 H4 Cl N O2	c1cc2c(cc1....
145	1DF1	-	ITU	C3 H8 N2 S	CCSC(=N)N
146	2NOS	-	AGU	C H6 N4	C(=N)(N)NN
147	1R35	ic50 = 6.09 uM	I58	C8 H16 F N3 O2	[H]/N=C(/C....
148	2ORR	-	333	C20 H14 N4 O4	c1cc(ccc1n....
149	1DD7	ic50 = 28 nM	1PM	C23 H25 N7 O5	COC(=O)N1C....
150	3NQS	-	H4B NO	n/a	n/a
151	2ORO	ic50 = 0.29 nM	228	C22 H24 N6 O3	Cc1cc(nc(n....
152	3EAI	ic50 = 0.074 uM	328	C19 H20 N4 O2	COc1ccnc(c....
153	1N2N	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
154	1M9T	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
155	2ORP	ic50 = 1.9 nM	R86	C27 H35 N7 O3	Cc1cc(nc(n....
156	3EBF	ic50 = 0.4 uM	332	C17 H19 N3 O2 S	c1cc2c(cc1....
157	1QW4	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
158	1JWK	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
159	2ORQ	-	MR1	C8 H9 N O2	c1cc2c(cc1....
160	3E6N	ic50 = 0.015 uM	AS3	C9 H14 N2	CCCc1cc(cc....
161	3E65	ic50 = 0.13 uM	XXZ	C20 H22 F N5 O	c1cc2c(c(c....
162	3E6T	ic50 = 1.2 uM	1A2	C21 H22 F2 N6 O	CCN1c2c(cc....
163	3E7M	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
164	1DWW	-	HAR	C6 H14 N4 O3	C(C[C@@H](....
165	3E68	ic50 = 0.12 uM	AT6	C16 H16 N4 O	Cc1cc(nc(c....
166	3E6L	ic50 = 0.72 uM	A11	C13 H18 Cl N3 O2	CCOC(=O)N1....
167	3EBD	ic50 = 0.04 uM	329	C8 H10 N2 O S	C[C@H]1CN=....
168	2ORT	-	342	C22 H23 N3 O3	c1cc(ccc1n....
169	5UNZ	Ki = 0.061 uM	M4R	C22 H24 N4 O	Cc1cc(nc2c....
170	4UGZ	Ki = 130 nM	4V4	C18 H26 N4	Cc1cc(nc(c....
171	6AUV	Ki = 47 nM	W79	C21 H24 N4	Cc1cc(nc(c....
172	3NLP	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
173	4JSE	Ki = 48 nM	QJ2	C17 H24 N4	Cc1cc(nc(c....
174	6AV1	Ki = 30 nM	W69	C19 H26 F N3	Cc1cc(nc(c....
175	1ZZR	Ki = 42 uM	DP9	C11 H22 N8 O4	C1[C@H](CN....
176	3NLW	Ki = 2.7 uM	3XF	C20 H33 F2 N5 O	Cc1cc(nc(c....
177	4CTX	Ki = 70 nM	71S	C22 H28 N6	Cc1cc(nc(c....
178	4D7O	Ki = 525 nM	0GD	C21 H22 F N3	Cc1cc(nc(c....
179	4CAQ	Ki = 0.066 uM	M68	C19 H20 Cl N3	c1cc(cc(c1....
180	3N5Y	Ki = 99 nM	XFL	C21 H25 N5	Cc1cc(nc(c....
181	5UNS	Ki = 0.054 uM	8J4	C20 H23 N3 O	CCc1cc(cc(....
182	5FVW	Ki = 13 nM	W66	C17 H24 N4	Cc1cc(nc(c....
183	5VUT	Ki = 0.019 uM	9OG	C20 H20 N4	Cc1cc(nc2c....
184	2HX3	Ki = 0.12 uM	3HX	C8 H21 N7 O3	[H]/N=C(/N....
185	3JX3	Ki = 180 nM	JI5	C21 H30 F N5	Cc1cc(nc(c....
186	4UPN	Ki = 0.0147 uM	7LN	C27 H29 N5 O2 S2	c1cc(cc(c1....
187	5ADI	Ki = 0.507 uM	TUE	C17 H16 N4 O	C=NCc1cc(c....
188	4KCN	Ki = 0.011 uM	5H3	C20 H20 F N3 S	[H]/N=C(c1....
189	1LZX	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
190	1MMW	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
191	6AV4	Ki = 100 nM	W80	C21 H24 N4	Cc1cc(nc(c....
192	5VUY	Ki = 0.274 uM	P64	C20 H24 N4	CN(C)c1ccc....
193	4UH4	Ki = 24 nM	Q1T	C19 H25 N5	Cc1cc(nc(c....
194	4CX4	-	HW9	C22 H32 N4 O	Cc1ccnc(c1....
195	3JT6	Ki = 32 uM	JM6	C10 H21 N3 O2 S	[H]/N=C(/C....
196	5UNY	Ki = 0.05 uM	M4R	C22 H24 N4 O	Cc1cc(nc2c....
197	3JX1	Ki = 290 nM	JI5	C21 H30 F N5	Cc1cc(nc(c....
198	3NLM	Ki = 7.2 nM	JRR	C21 H29 F N4 O	Cc1cc(nc(c....
199	4CAM	Ki = 0.075 uM	M87	C18 H18 F N3	c1cc(cc(c1....
200	1OM5	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
201	4D31	Ki = 0.183 uM	OLW	C17 H16 N6	c1cc(cc(c1....
202	5AD8	Ki = 0.16 uM	9M9	C17 H17 N3 O	c1cc(cc(c1....
203	5UNU	Ki = 0.033 uM	8EY	C20 H20 N4 O	Cc1cc(nc2c....
204	3UFT	Ki = 0.117 uM	HW7	C21 H27 Cl F N3 O2	Cc1cc(nc(c....
205	3N63	-	XFN	C22 H27 N5	Cc1cc(nc(c....
206	3TYL	Ki = 0.41 uM	AXW	C20 H27 F N4 O	Cc1cc(nc(c....
207	4EUX	Ki = 0.038 uM	HW1	C22 H33 N5 O	Cc1cc(nc(c....
208	1QWC	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
209	4IMT	Ki = 0.11 uM	1EW	C25 H33 N5	Cc1cc(nc(c....
210	3JTA	Ki = 32 uM	JM6	C10 H21 N3 O2 S	[H]/N=C(/C....
211	3Q99	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
212	3DQR	Ki = 0.388 uM	JI2	C12 H21 N5	c1cc(nc(c1....
213	5VV4	Ki = 0.02 uM	9P7	C20 H20 N4	Cc1cc(ccc1....
214	3B3M	Ki = 47.94 uM	JI1	C13 H22 N4 O	c1cc(nc(c1....
215	5G0O	Ki = 748 nM	W64	C18 H25 N5	Cc1cc(nc(c....
216	6AUR	Ki = 41 nM	W68	C18 H24 F N3	Cc1cc(nc(c....
217	4K5F	Ki = 232 nM	Q14	C18 H27 N5 O2	Cc1cc(nc(c....
218	5FVO	-	D8H	C17 H24 N4 O	Cc1cc(nc(c....
219	3JT7	Ki = 59 uM	JM5	C10 H21 N3 O2 S	[H]/N=C(/C....
220	5AD5	Ki = 0.332 uM	M94	C19 H21 N3 O	CNCCc1cccc....
221	6AUW	Ki = 57 nM	W80	C21 H24 N4	Cc1cc(nc(c....
222	4K5E	Ki = 32 nM	1Q7	C17 H25 N5 O2	Cc1cc(nc(c....
223	6AV2	-	BY7	C20 H26 F3 N3	Cc1cc(nc(c....
224	4JSF	Ki = 86 nM	QJ4	C19 H28 N4	Cc1cc(nc(c....
225	1M00	-	BHH	C5 H13 N3 O	CCCCNC(=N)....
226	3JWU	Ki = 171 nM	J11	C21 H30 F N5	Cc1cc(nc(c....
227	5FVQ	Ki = 43 nM	W64	C18 H25 N5	Cc1cc(nc(c....
228	3UFU	Ki = 0.074 uM	HW8	C21 H30 N4 O	Cc1cc(nc(c....
229	5VV1	Ki = 0.073 uM	9OS	C19 H22 N4 O	COc1ccncc1....
230	1ZVI	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
231	5VUV	Ki = 0.768 uM	M62	C16 H14 F N3	c1cc(cc(c1....
232	3NLN	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
233	1OM4	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
234	3B3P	Ki = 0.25 uM	JI7	C20 H28 Cl N5	Cc1cc(nc(c....
235	3N5V	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
236	4CTW	Ki = 24 nM	S71	C22 H28 N6	Cc1cc(nc(c....
237	4CTP	Ki = 144 nM	2IK	C22 H27 N5	Cc1cc(nc(c....
238	4CTT	Ki = 903 nM	S7K	C22 H26 N4	Cc1ccnc(c1....
239	4FVW	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
240	6AV5	Ki = 83 nM	W82	C22 H24 F N3	Cc1cc(nc(c....
241	3HSO	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
242	6CIC	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
243	5ADB	Kd = 0.058 uM	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
244	4CTR	Ki = 70 nM	S20	C22 H26 N4 O	Cc1cc(nc(c....
245	1LZZ	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
246	3TYN	Ki = 0.39 uM	CXW	C20 H28 N4 O2	Cc1cc(nc(c....
247	4KCM	Ki = 0.049 uM	1QF	C27 H29 N5 S2	[H]/N=C(c1....
248	3UFR	Ki = 0.637 uM	H5W	C21 H26 F N3 O	Cc1cc(nc(c....
249	4K5D	Ki = 382 nM	1Q6	C17 H25 N5 O2	Cc1cc(nc(c....
250	3B3N	Ki = 388 nM	JI2	C12 H21 N5	c1cc(nc(c1....
251	5AGN	Ki = 1.5 uM	4JK	C7 H15 N3 O3	[H]/N=C(CO....
252	4UH6	Ki = 55 nM	Q1T	C19 H25 N5	Cc1cc(nc(c....
253	5UNX	Ki = 0.042 uM	8F1	C21 H22 N4 O	Cc1cc(nc2c....
254	3JWT	Ki = 5.3 nM	JI5	C21 H30 F N5	Cc1cc(nc(c....
255	3JX5	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
256	3NNY	Ki = 50 nM	59R	C20 H27 F N4 O	c1cc(cc(c1....
257	4CTV	Ki = 123 nM	7S7	C22 H28 N6	Cc1cc(nc(c....
258	2G6K	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
259	1VAG	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
260	4UCH	Ki = 0.138 uM	OLW	C17 H16 N6	c1cc(cc(c1....
261	3N5X	Ki = 103 nM	XFK	C21 H25 N5	Cc1cc(nc(c....
262	5VV3	Ki = 0.032 uM	P94	C19 H18 N4	c1cc(ccc1C....
263	5VUM	Ki = 0.038 uM	XH8	C18 H20 N4	c1cc(cnc1)....
264	6CID	-	F2J	C18 H20 N4 S	[H]/N=C(c1....
265	6AUS	Ki = 252 nM	BYV	C19 H24 N4	Cc1cc(nc(c....
266	3NLK	Ki = 116 nM	JSS	C21 H29 F N4 O	Cc1cc(nc(c....
267	3N61	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
268	5UO6	Ki = 0.065 uM	M4R	C22 H24 N4 O	Cc1cc(nc2c....
269	4FVX	Ki = 26 uM	2KJ	C8 H18 N4 O3	[H]/N=C(NC....
270	1P6J	Ki = 0.1 uM	DP9	C11 H22 N8 O4	C1[C@H](CN....
271	4JSG	Ki = 60 nM	Q10	C16 H21 N3 O2	Cc1cc(nc(c....
272	4GQE	Ki = 7.4 mM	6KJ	C10 H20 N4 O3	[H]/N=C(NO....
273	4IMU	Ki = 0.053 uM	1ET	C23 H29 N5	Cc1cc(nc(c....
274	5VUI	Ki = 0.575 uM	M62	C16 H14 F N3	c1cc(cc(c1....
275	3N65	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
276	2G6H	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
277	4D1N	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
278	2G6L	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
279	6AUU	Ki = 541 nM	BY7	C20 H26 F3 N3	Cc1cc(nc(c....
280	3HSN	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
281	3NLR	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
282	3NLZ	Ki = 0.085 uM	3XD	C21 H28 F2 N4 O	Cc1cc(nc(c....
283	5UO4	Ki = 0.061 uM	8F1	C21 H22 N4 O	Cc1cc(nc2c....
284	5VUU	Ki = 0.025 uM	9OJ	C21 H22 N4	Cc1cc(ccc1....
285	3N62	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
286	5ADC	Ki = 0.043 uM	TUE	C17 H16 N4 O	C=NCc1cc(c....
287	5VUZ	Ki = 0.108 uM	XH8	C18 H20 N4	c1cc(cnc1)....
288	4V3U	Ki = 0.125 uM	EG8	C17 H20 N6	c1cc(cnc1)....
289	4D32	Ki = 0.06 uM	7F5	C19 H22 F N5	Cc1cncn1c2....
290	5VUO	Ki = 0.05 uM	9OS	C19 H22 N4 O	COc1ccncc1....
291	4KCO	Ki = 0.073 uM	5H4	C22 H24 F N3 S	[H]/N=C(c1....
292	4FVY	-	3KJ	C7 H16 N4 O3	[H]/N=C(/N....
293	5AD7	Ki = 0.569 uM	M85	C18 H19 N3 O	CNCc1cccc(....
294	5AGK	Ki = 53 uM	RGE	C8 H17 N3 O3 S	[H]/N=C(CS....
295	4KCK	Ki = 0.005 uM	H45	C25 H25 N5 S2	[H]/N=C(c1....
296	5UO5	Ki = 0.074 uM	M4R	C22 H24 N4 O	Cc1cc(nc2c....
297	3UFS	Ki = 0.23 uM	HW6	C22 H29 Cl F N3 O	Cc1cc(nc(c....
298	5VUX	Ki = 0.764 uM	9P1	C19 H22 N4	CN(C)c1ccc....
299	6AUT	Ki = 26 nM	W69	C19 H26 F N3	Cc1cc(nc(c....
300	3JX6	Ki = 2180 nM	JI5	C21 H30 F N5	Cc1cc(nc(c....
301	4D2Y	Ki = 0.018 uM	L5Z	C19 H20 F N5	c1cc(cc(c1....
302	1K2U	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
303	1ZZU	Ki = 63.3 uM	DP1	C10 H22 N8 O4	C(C[C@@H](....
304	4JSH	Ki = 117 nM	Q15	C19 H25 N3 O2	Cc1cc(nc(c....
305	4IMW	Ki = 0.056 uM	1EV	C23 H25 N5	Cc1cc(nc(c....
306	3UFP	Ki = 0.922 uM	H4W	C22 H30 F N3 O	Cc1cc(nc(c....
307	5G0N	Ki = 139.4 nM	EXI	C17 H25 N5	Cc1cc(nc(c....
308	2G6I	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
309	3N60	Ki = 85 nM	XFN	C22 H27 N5	Cc1cc(nc(c....
310	5VV5	Ki = 0.03 uM	9OJ	C21 H22 N4	Cc1cc(ccc1....
311	5VUK	Ki = 0.522 uM	9P1	C19 H22 N4	CN(C)c1ccc....
312	5AD4	Ki = 0.468 uM	6M8	C20 H23 N3 O	CN(C)CCc1c....
313	3PNF	Ki = 0.17 uM	8BX	C21 H27 Cl F2 N4 O	Cc1cc(nc(c....
314	3SVP	Ki = 0.077 uM	JK5	C21 H26 Cl F3 N4 O	Cc1cc(nc(c....
315	6AUQ	Ki = 48 nM	BYJ	C18 H25 N3	Cc1cc(nc(c....
316	5UO3	-	8EY	C20 H20 N4 O	Cc1cc(nc2c....
317	4CX3	-	HW8	C21 H30 N4 O	Cc1cc(nc(c....
318	5AGP	Ki = 0.42 uM	VUR	C7 H15 N3 O2 S	[H]/N=C(CS....
319	4JSI	Ki = 40 nM	Q05	C22 H24 F N3 O	Cc1cc(nc(c....
320	5VUW	Ki = 1.02 uM	JHT	C19 H22 N4	CN(C)c1ccc....
321	4FVZ	Ki = 28 uM	4KJ	C8 H16 N4 O3	[H]/N=C(/N....
322	3JWV	Ki = 18.9 nM	J14	C21 H30 F N5	Cc1cc(nc(c....
323	6AUZ	Ki = 65 nM	W68	C18 H24 F N3	Cc1cc(nc(c....
324	2HX4	Ki = 0.31 uM	4HX	C11 H22 N8 O5	[H]/N=C(/N....
325	5ADF	Ki = 0.657 uM	2SN	C19 H22 N4	CN(C)Cc1cc....
326	5VV0	Ki = 0.13 uM	9OM	C19 H22 N4	Cc1ccncc1C....
327	4D3B	Ki = 0.368 uM	6J0	C17 H19 F N6	c1cc(cc(c1....
328	3HSP	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
329	5FVT	Ki = 25 nM	W67	C18 H26 N4	Cc1cc(nc(c....
330	4V3X	Ki = 0.138 uM	4E8	C18 H20 F N5	c1cc(cc(c1....
331	5AGL	Ki = 58.3 uM	CCW	C8 H17 N3 O4 S	CS(=O)(=O)....
332	4D30	Ki = 0.054 uM	EG8	C17 H20 N6	c1cc(cnc1)....
333	4CTU	Ki = 53 nM	S42	C23 H29 N5	Cc1cc(nc(c....
334	5UO0	Ki = 0.05 uM	8FD	C22 H24 N4 O	Cc1cc(nc2c....
335	3N2R	Ki = 3 uM	XJH	C22 H23 N3 O2	c1ccc(cc1)....
336	3NLX	Ki = 0.036 uM	3XB	C21 H27 F3 N4 O	Cc1cc(nc(c....
337	4CAP	Ki = 0.06 uM	ML6	C19 H20 F N3	c1cc(cc(c1....
338	5FVU	Ki = 84 nM	W64	C18 H25 N5	Cc1cc(nc(c....
339	3NLJ	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
340	5AGM	Ki = 22.9 uM	WT2	C7 H13 N3 O3	C(C[C@@H](....
341	4KCJ	Ki = 0.13 uM	H36	C24 H22 N4 O2 S2	[H]/N=C(Nc....
342	5FVX	Ki = 37 nM	W67	C18 H26 N4	Cc1cc(nc(c....
343	4UPO	Ki = 0.0281 uM	6E5	C29 H31 N5 O2 S2	[H]/N=C(/c....
344	1K2T	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
345	5VUN	Ki = 0.09 uM	9OM	C19 H22 N4	Cc1ccncc1C....
346	3JT4	Ki = 33 uM	JM8	C10 H21 N3 O2 S	[H]/N=C(CC....
347	5ADD	-	M85	C18 H19 N3 O	CNCc1cccc(....
348	4V3W	Ki = 0.183 uM	E2Z	C17 H18 F N5	c1cc(cc(c1....
349	3NLQ	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
350	5VUS	Ki = 0.031 uM	9PM	C19 H17 Cl N4	c1cc(cc2c1....
351	4UH5	Ki = 59 nM	EXI	C17 H25 N5	Cc1cc(nc(c....
352	3JWS	Ki = 52.2 nM	JI4	C21 H30 F N5	Cc1cc(nc(c....
353	3UFV	Ki = 0.031 uM	HW9	C22 H32 N4 O	Cc1ccnc(c1....
354	5UNV	Ki = 0.033 uM	8J7	C20 H23 N3	Cc1cc(nc2c....
355	3NNZ	Ki = 220 nM	59W	C20 H27 F N4 O	c1cc(cc(c1....
356	3JX4	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
357	3N64	-	XFN	C22 H27 N5	Cc1cc(nc(c....
358	5VUJ	Ki = 0.421 uM	JHT	C19 H22 N4	CN(C)c1ccc....
359	3JT3	Ki = 0.9 uM	JM2	C8 H17 N3 O2 S	[H]/N=C(CS....
360	5ADE	-	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
361	2G6J	-	7AP	C9 H12 N6 O2	C[C@@H]([C....
362	3UFQ	Ki = 15.402 uM	HW5	C22 H28 F N3 O	Cc1cc(nc(c....
363	3TYM	Ki = 0.82 uM	08R	C21 H30 N4 O2	Cc1cc(nc(c....
364	4JSJ	Ki = 140 nM	QJ7	C21 H23 F N4 O	Cc1cc(nc(c....
365	4UH1	Ki = 17 nM	EXI	C17 H25 N5	Cc1cc(nc(c....
366	5AD9	Ki = 0.283 uM	8VJ	C19 H21 N3 O	CN(C)Cc1cc....
367	3SVQ	Ki = 0.18 uM	JK4	C21 H26 F4 N4 O	Cc1cc(nc(c....
368	1P6I	Ki = 0.15 uM	DP3	C8 H21 N7 O2	C(C[C@@H](....
369	3Q9A	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
370	4CAO	Ki = 0.164 uM	M46	C20 H22 F N3	c1cc(cc(c1....
371	4V3Y	Ki = 0.032 uM	HLW	C18 H20 Cl N5	c1cc(cc(c1....
372	5VUR	Ki = 0.021 uM	9P7	C20 H20 N4	Cc1cc(ccc1....
373	5G0P	Ki = 108 nM	W67	C18 H26 N4	Cc1cc(nc(c....
374	5UO2	Ki = 0.125 uM	8J4	C20 H23 N3 O	CCc1cc(cc(....
375	2G6N	-	HBI	C9 H13 N5 O3	C[C@@H]([C....
376	5ADG	Ki = 0.295 uM	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
377	4UPP	Ki = 0.0282 uM	PQW	C27 H27 N5 O2 S2	[H]/N=C(/c....
378	4LUX	Kd = 0.1 uM	QJ8	C19 H27 N5 O2	Cc1cc(nc(c....
379	4CX5	-	HW8	C21 H30 N4 O	Cc1cc(nc(c....
380	4V3V	Ki = 0.138 uM	S8F	C17 H18 F N5	c1cc(cc(c1....
381	6AUX	Ki = 44 nM	W82	C22 H24 F N3	Cc1cc(nc(c....
382	4K5G	Ki = 37 nM	Q13	C18 H27 N5 O2	Cc1cc(nc(c....
383	3NLY	Ki = 0.16 uM	3XC	C21 H27 F3 N4 O	Cc1cc(nc(c....
384	5FVP	Ki = 547 nM	WOS	C17 H22 N4 O	Cc1cc(nc(c....
385	3JT5	Ki = 8.6 uM	JM7	C9 H19 N3 O2 S	[H]/N=C(CS....
386	5AGO	Ki = 0.42 uM	VUR	C7 H15 N3 O2 S	[H]/N=C(CS....
387	5VUP	Ki = 0.216 uM	9P4	C18 H19 F N4	c1cc(cc2c1....
388	5FW0	Ki = 1768 nM	W30	C17 H24 N4 O	Cc1cc(nc(c....
389	4KCI	Ki = 0.739 uM	1QE	C24 H22 N4 S2	[H]/N=C(Nc....
390	4UPM	Ki = 0.059 uM	I5U	C27 H29 N5 O2 S2	[H]/N=C(c1....
391	3PNE	Ki = 0.086 uM	8AX	C21 H27 Cl F2 N4 O	Cc1cc(nc(c....
392	5UNW	Ki = 0.036 uM	8F7	C21 H22 N4	Cc1cc(nc2c....
393	4V3Z	Ki = 0.056 uM	9HL	C19 H20 F N5	c1cc(cc(c1....
394	5FVR	Ki = 72 nM	H65	C19 H26 N4	Cc1cc(nc(c....
395	4CDT	Ki = 0.049 uM	M48	C19 H20 F N3	c1cc(cc(c1....
396	4FW0	Ki > 10 mM	5KJ	C7 H16 N4 O3	[H]/N=C(NO....
397	4UH2	Ki = 67 nM	S84	C19 H25 F3 N4	Cc1cc(nc(c....
398	5UO7	Ki = 0.046 uM	8FD	C22 H24 N4 O	Cc1cc(nc2c....
399	3JT8	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
400	1ZVL	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
401	4CTQ	Ki = 122 nM	S5D	C22 H27 N5	Cc1cc(nc(c....
402	4IMS	Ki = 0.54 uM	12S	C25 H33 N5	Cc1cc(nc(c....
403	3TYO	Ki = 0.4 uM	DXW	C18 H26 N4 O2	Cc1cc(nc(c....
404	1RS7	-	D7P	C15 H25 N7 O4	c1ccc(cc1)....
405	4KCL	Ki = 0.005 uM	H44	C25 H25 N5 S2	[H]/N=C(/c....
406	3NLO	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
407	4UH0	Ki = 35 nM	SKO	C17 H25 N5	Cc1cc(nc(c....
408	3UFO	Ki = 9.057 uM	HW4	C22 H30 F N3 O	Cc1cc(nc(c....
409	4D2Z	Ki = 0.15 uM	K9L	C19 H20 F N5	c1cc(cc(c1....
410	5UNR	Ki = 0.035 uM	8EV	C19 H18 N4 O	CNCc1cc(cc....
411	5ADA	Ki = 0.375 uM	2SN	C19 H22 N4	CN(C)Cc1cc....
412	1P6K	Ki = 67 uM	DP1	C10 H22 N8 O4	C(C[C@@H](....
413	5FVV	Ki = 89 nM	H65	C19 H26 N4	Cc1cc(nc(c....
414	6AV0	Ki = 516 nM	BYV	C19 H24 N4	Cc1cc(nc(c....
415	3JX2	Ki = 1190 nM	JI4	C21 H30 F N5	Cc1cc(nc(c....
416	3UFW	Ki = 0.03 uM	HW0	C21 H31 N5 O	Cc1cc(nc(c....
417	5VV2	Ki = 0.164 uM	9P4	C18 H19 F N4	c1cc(cc2c1....
418	5UO1	Ki = 0.036 uM	8EV	C19 H18 N4 O	CNCc1cc(cc....
419	3N5W	Ki = 25 nM	XFJ	C21 H25 N5	Cc1cc(nc(c....
420	3PNG	Ki = 0.026 uM	8CX	C21 H28 F2 N4 O	Cc1cc(nc(c....
421	3B3O	Ki = 0.085 uM	JI3	C20 H28 Cl N5	Cc1cc(nc(c....
422	4C39	Ki = 9.7 nM	Q16	C19 H27 N5 O2	Cc1cc(nc(c....
423	5VUL	Ki = 0.036 uM	P64	C20 H24 N4	CN(C)c1ccc....
424	1K2R	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
425	1QW6	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
426	3JT9	Ki = 8.6 uM	JM7	C9 H19 N3 O2 S	[H]/N=C(CS....
427	3JX0	Ki = 1190 nM	JI4	C21 H30 F N5	Cc1cc(nc(c....
428	5AD6	Ki = 0.179 uM	7M3	C19 H21 N3 O	CN(C)Cc1cc....
429	1MMV	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
430	4UH3	Ki = 34 nM	S85	C18 H25 F N4	Cc1cc(nc(c....
431	1ZZQ	Ki = 20 uM	DP9	C11 H22 N8 O4	C1[C@H](CN....
432	6AV3	Ki = 82 nM	W79	C21 H24 N4	Cc1cc(nc(c....
433	1P6H	Ki = 0.3 uM	DP1	C10 H22 N8 O4	C(C[C@@H](....
434	6AUY	Ki = 55 nM	BYJ	C18 H25 N3	Cc1cc(nc(c....
435	5FVS	Ki = 16 nM	W66	C17 H24 N4	Cc1cc(nc(c....
436	3NM0	Ki = 0.17 uM	3XE	C21 H32 F2 N4 O	C[C@H]1C[C....
437	3N66	-	XFN	C22 H27 N5	Cc1cc(nc(c....
438	5VUQ	Ki = 0.037 uM	P94	C19 H18 N4	c1cc(ccc1C....
439	2G6M	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
440	3NLV	Ki = 0.39 uM	3XA	C21 H27 F3 N4 O	Cc1cc(nc(c....
441	3N5Z	Ki = 195 nM	XFM	C21 H25 N5	Cc1cc(nc(c....
442	1RS6	-	DP2	C12 H28 N8 O4	C(CCN)C[C@....
443	4CAN	Ki = 0.254 uM	M7K	C18 H18 F N3	c1cc(cc(c1....
444	4CX6	-	Q16	C19 H27 N5 O2	Cc1cc(nc(c....
445	4KCH	Ki = 0.787 uM	H38	C22 H18 N4 S2	[H]/N=C(Nc....
446	5UNT	Ki = 0.039 uM	8J1	C19 H21 N3 O	Cc1cc(nc2c....
447	4NOS	Ki = 19 nM	ITU	C3 H8 N2 S	CCSC(=N)N
448	3E7G	ic50 = 0.35 uM	AT2	C14 H21 N3 O2	CCOC(=O)N1....

50% Homology Family (522)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 4 families.
1	4UPR	Ki = 16.68 uM	7LN	C27 H29 N5 O2 S2	c1cc(cc(c1....
2	1FOJ	-	7NI	C7 H5 N3 O2	c1cc2cn[nH....
3	3N6A	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
4	1ED5	-	NRG	C6 H13 N5 O4	[H]/N=C(NC....
5	5UO9	Ki = 43 uM	8J4	C20 H23 N3 O	CCc1cc(cc(....
6	6CIF	-	F2J	C18 H20 N4 S	[H]/N=C(c1....
7	1Q2O	Ki = 9.5 uM	DP1	C10 H22 N8 O4	C(C[C@@H](....
8	4D36	Ki = 8.1 uM	HLW	C18 H20 Cl N5	c1cc(cc(c1....
9	1DM7	-	HRG	C7 H16 N4 O2	C(CCNC(=N)....
10	5NSE	-	HAR	C6 H14 N4 O3	C(C[C@@H](....
11	3NLF	Ki = 18.78 uM	JRS	C21 H29 F N4 O	Cc1cc(nc(c....
12	4CWW	Ki = 45.2 uM	HW9	C22 H32 N4 O	Cc1ccnc(c1....
13	1M9K	Kd ~ 250 uM	7NI	C7 H5 N3 O2	c1cc2cn[nH....
14	3N67	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
15	4UHA	Ki = 24950 nM	S49	C29 H33 N5 O4 S	[H]/N=C(/c....
16	1FOP	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
17	4D1P	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
18	5VVD	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
19	3JWZ	Ki = 57100 nM	J14	C21 H30 F N5	Cc1cc(nc(c....
20	4CU0	Ki = 68520 nM	S71	C22 H28 N6	Cc1cc(nc(c....
21	3N6E	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
22	4NSE	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
23	4D34	Ki = 10.5 uM	E2Z	C17 H18 F N5	c1cc(cc(c1....
24	1FOI	-	14W	C10 H15 N3	[H]/N=C(/C....
25	5FVY	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
26	4IMX	Ki = 26.4 uM	1EV	C23 H25 N5	Cc1cc(nc(c....
27	5ADM	-	9M9	C17 H17 N3 O	c1cc(cc(c1....
28	2G6O	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
29	3JWY	Ki = 34500 nM	J11	C21 H30 F N5	Cc1cc(nc(c....
30	4K5I	Ki = 15213 nM	1Q7	C17 H25 N5 O2	Cc1cc(nc(c....
31	5FJ2	-	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
32	4CWZ	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
33	4CVG	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
34	1D1W	Ki = 0.35 uM	ATQ	C3 H6 N2 S	C1CSC(=N1)....
35	4D39	Ki = 10.5 uM	OLW	C17 H16 N6	c1cc(cc(c1....
36	1ZZS	Ki = 5.1 uM	DP9	C11 H22 N8 O4	C1[C@H](CN....
37	4UPS	Ki = 3.63 uM	6E5	C29 H31 N5 O2 S2	[H]/N=C(/c....
38	5VV8	Ki = 0.092 uM	9P7	C20 H20 N4	Cc1cc(ccc1....
39	4KCQ	Ki = 41.4 uM	1QF	C27 H29 N5 S2	[H]/N=C(c1....
40	4JSK	Ki = 979 nM	QJ2	C17 H24 N4	Cc1cc(nc(c....
41	5ADL	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
42	9NSE	Ki = 0.039 uM	ISU	C3 H8 N2 Se	[H]/N=C(/N....
43	3DQS	Ki = 85.2 uM	JI3	C20 H28 Cl N5	Cc1cc(nc(c....
44	5VV9	Ki = 1.22 uM	9OG	C20 H20 N4	Cc1cc(nc2c....
45	4CUN	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
46	1P6N	Ki = 110 uM	DP9	C11 H22 N8 O4	C1[C@H](CN....
47	5FVZ	Ki = 16637 nM	W67	C18 H26 N4	Cc1cc(nc(c....
48	4CUM	-	WS7	C11 H15 N5 O	CC12CCCCC1....
49	1D1V	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
50	6AV6	Ki = 39505 nM	W68	C18 H24 F N3	Cc1cc(nc(c....
51	4KCS	Ki = 21.7 uM	5H4	C22 H24 F N3 S	[H]/N=C(c1....
52	4K5K	Ki = 2542 nM	Q13	C18 H27 N5 O2	Cc1cc(nc(c....
53	4CWY	Ki = 26.1 uM	HW1	C22 H33 N5 O	Cc1cc(nc(c....
54	3NLG	Ki = 36.19 uM	JSR	C21 H29 F N4 O	Cc1cc(nc(c....
55	3NSE	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
56	4UPQ	Ki = 12.44 uM	I5U	C27 H29 N5 O2 S2	[H]/N=C(c1....
57	1D1Y	-	3BT	C12 H18 N4 S2	[H]/N=C(N)....
58	1DMK	-	AP6	C12 H14 N6	c1ccc(cc1)....
59	4D37	Ki = 4 uM	9HL	C19 H20 F N5	c1cc(cc(c1....
60	6AV7	Ki = 83976 nM	W69	C19 H26 F N3	Cc1cc(nc(c....
61	4UH7	Ki = 20240 nM	4V4	C18 H26 N4	Cc1cc(nc(c....
62	3N5P	Ki = 20000 nM	XFM	C21 H25 N5	Cc1cc(nc(c....
63	3NLD	Ki = 26.2 uM	JSS	C21 H29 F N4 O	Cc1cc(nc(c....
64	4CX2	-	H2B	C9 H13 N5 O3	C[C@@H]([C....
65	4CAR	Ki = 0.485 uM	M87	C18 H18 F N3	c1cc(cc(c1....
66	4JSL	Ki = 2154 nM	QJ4	C19 H28 N4	Cc1cc(nc(c....
67	6NSE	-	GGB	C5 H12 N4 O3	[H]/N=C(N)....
68	5VVB	-	9P7	C20 H20 N4	Cc1cc(ccc1....
69	4K5H	Ki = 26446 nM	1Q6	C17 H25 N5 O2	Cc1cc(nc(c....
70	4C3A	Ki = 6727 nM	Q16	C19 H27 N5 O2	Cc1cc(nc(c....
71	5UOB	Ki = 16.1 uM	M4R	C22 H24 N4 O	Cc1cc(nc2c....
72	1M9J	Kd ~ 0.6 uM	CLW	C7 H4 Cl N O2	c1cc2c(cc1....
73	1FOL	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
74	1D0O	-	INE	C7 H4 Br N3 O2	c1cc2c(c(c....
75	5VV6	Ki = 1.57 uM	P64	C20 H24 N4	CN(C)c1ccc....
76	4JSM	Ki = 10366 nM	QJ7	C21 H23 F N4 O	Cc1cc(nc(c....
77	4UH8	Ki = 12910 nM	EXI	C17 H25 N5	Cc1cc(nc(c....
78	4CX1	-	H2B	C9 H13 N5 O3	C[C@@H]([C....
79	1P6L	Ki = 107 uM	DP1	C10 H22 N8 O4	C(C[C@@H](....
80	1NSE	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
81	4KCR	Ki = 0.9 uM	5H3	C20 H20 F N3 S	[H]/N=C(c1....
82	5VVC	-	9OJ	C21 H22 N4	Cc1cc(ccc1....
83	1ED6	-	ILO	C7 H15 N3 O2	CC(=N)NCCC....
84	1RS8	-	DP2	C12 H28 N8 O4	C(CCN)C[C@....
85	3NLI	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
86	7NSE	-	DA2	C8 H18 N4 O2	[H]/N=C(/N....
87	1DM6	-	PH3	C7 H8 Cl N3 O	c1cc(ccc1N....
88	5UOA	Ki = 5.63 uM	8EY	C20 H20 N4 O	Cc1cc(nc2c....
89	5ADN	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
90	3N6F	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
91	4UH9	Ki = 30238 nM	S85	C18 H25 F N4	Cc1cc(nc(c....
92	1DMJ	-	AP4	C8 H9 N5 O3	C1[C@@H]2C....
93	2NSE	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
94	1D1X	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
95	4LUW	Kd = 2.1 uM	QJ8	C19 H27 N5 O2	Cc1cc(nc(c....
96	3NOS	-	HAR	C6 H14 N4 O3	C(C[C@@H](....
97	3EAH	ic50 = 0.04 uM	327	C10 H14 N2 O S	[H]/N=C/1c....
98	4D35	Ki = 4 uM	4E8	C18 H20 F N5	c1cc(cc(c1....
99	1D0C	-	INE	C7 H4 Br N3 O2	c1cc2c(c(c....
100	4CWV	Ki = 148.9 uM	HW8	C21 H30 N4 O	Cc1cc(nc(c....
101	4K5J	Ki = 20196 nM	Q14	C18 H27 N5 O2	Cc1cc(nc(c....
102	1P6M	Ki = 80 uM	DP3	C8 H21 N7 O2	C(C[C@@H](....
103	5UO8	Ki = 12.3 uM	8EV	C19 H18 N4 O	CNCc1cc(cc....
104	4CUL	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
105	4D3A	Ki = 15.4 uM	7F5	C19 H22 F N5	Cc1cncn1c2....
106	5UOD	-	8EY	C20 H20 N4 O	Cc1cc(nc2c....
107	5VVG	Ki = 0.115 uM	9PM	C19 H17 Cl N4	c1cc(cc2c1....
108	1FOO	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
109	1M9Q	-	5NI	C7 H5 N3 O2	c1cc2c(cc1....
110	3PNH	Ki = 19 uM	8CX	C21 H28 F2 N4 O	Cc1cc(nc(c....
111	4D1O	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
112	4D38	Ki = 10.32 uM	L5Z	C19 H20 F N5	c1cc(cc(c1....
113	5FJ3	Ki = 12.5 uM	XEB	C18 H18 Cl N3 O	CNCc1cc(cc....
114	5VVN	Ki = 0.581 uM	P94	C19 H18 N4	c1cc(ccc1C....
115	1DM8	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
116	5UOC	Ki = 22.2 uM	8FD	C22 H24 N4 O	Cc1cc(nc2c....
117	4D33	Ki = 40 uM	6J0	C17 H19 F N6	c1cc(cc(c1....
118	2HX2	Ki = 73 uM	3HX	C8 H21 N7 O3	[H]/N=C(/N....
119	1I83	-	NTU	C18 H38 N4 S2	CS/C(=NCCC....
120	1ED4	Ki = 0.022 uM	IPU	C4 H10 N2 S	CC(C)SC(=N....
121	5VV7	Ki = 1.04 uM	XH8	C18 H20 N4	c1cc(cnc1)....
122	4KCP	Ki = 2.7 uM	H44	C25 H25 N5 S2	[H]/N=C(/c....
123	1RS9	-	D7P	C15 H25 N7 O4	c1ccc(cc1)....
124	4UPT	Ki = 3.34 uM	PQW	C27 H27 N5 O2 S2	[H]/N=C(/c....
125	4CX0	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
126	1M9M	-	6NI	C7 H5 N3 O2	c1cc2cn[nH....
127	3JWX	Ki = 20300 nM	JI5	C21 H30 F N5	Cc1cc(nc(c....
128	4CTZ	Ki = 328000 nM	S7K	C22 H26 N4	Cc1ccnc(c1....
129	5ADK	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
130	3N5S	Ki = 16100 nM	XFK	C21 H25 N5	Cc1cc(nc(c....
131	1ZZT	Ki = 1.1 uM	DP9	C11 H22 N8 O4	C1[C@H](CN....
132	3JWW	Ki = 26400 nM	JI4	C21 H30 F N5	Cc1cc(nc(c....
133	4CTY	Ki = 14390 nM	S5D	C22 H27 N5	Cc1cc(nc(c....
134	5ADJ	-	M94	C19 H21 N3 O	CNCCc1cccc....
135	3N6G	-	H4B	C9 H15 N5 O3	C[C@@H]([C....
136	3NLE	Ki = 19.2 uM	JRR	C21 H29 F N4 O	Cc1cc(nc(c....
137	8NSE	-	H4B	C9 H15 N5 O3	C[C@@H]([C