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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
3ZBF	2.2 Å	EC: 2.7.10.1	STRUCTURE OF HUMAN ROS1 KINASE DOMAIN IN COMPLEX WITH CRIZOT	HOMO SAPIENS	TRANSFERASE TYROSINE KINASE
Ref.:	ACQUIRED RESISTANCE TO CRIZOTINIB FROM A MUTATION I CD74-ROS1 N.ENGL.J.MED. V. 368 2395 2013

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
VGH	A:3000;	Valid;	none;	Ki = 2.1 nM		450.337	C21 H22 Cl2 F N5 O	C[C@H...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4UXL	2.4 Å	EC: 2.7.10.1	STRUCTURE OF HUMAN ROS1 KINASE DOMAIN IN COMPLEX WITH PF-064	HOMO SAPIENS	TRANSFERASE INHIBITOR ROS
Ref.:	PF-06463922 IS A POTENT AND SELECTIVE NEXT-GENERATI ROS1/ALK INHIBITOR CAPABLE OF BLOCKING CRIZOTINIB-R ROS1 MUTATIONS. PROC.NATL.ACAD.SCI.USA V. 112 3493 2015

Members (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 39 families.
1	4UXL	Ki < 0.025 nM	5P8	C21 H19 F N6 O2	C[C@@H]1c2....
2	3ZBF	Ki = 2.1 nM	VGH	C21 H22 Cl2 F N5 O	C[C@H](c1c....

70% Homology Family (2)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 20 families.
1	4UXL	Ki < 0.025 nM	5P8	C21 H19 F N6 O2	C[C@@H]1c2....
2	3ZBF	Ki = 2.1 nM	VGH	C21 H22 Cl2 F N5 O	C[C@H](c1c....

50% Homology Family (836)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 7 families.
1	5UGX	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
2	3B2T	-	M33	C11 H17 N5 O9 P2	C[P@](=O)(....
3	1OEC	-	AA2	C25 H30 Cl N5 O	CC(C)(c1cc....
4	4J96	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
5	2PZP	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
6	6LVK	ic50 = 4.2 nM	EVC	C28 H39 N9 O4 S	CCNS(=O)(=....
7	4J98	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
8	2PVY	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
9	2PY3	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
10	2PZ5	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
11	2PWL	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
12	5UGL	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
13	5UI0	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
14	3CLY	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
15	3RI1	Kd = 5 uM	3RH	C18 H15 N3	c1ccc(cc1)....
16	1Y6B	ic50 = 38 nM	AAX	C25 H24 N4 O4 S	COc1ccc(cc....
17	3VHE	ic50 = 6.2 nM	42Q	C21 H15 F4 N5 O2	Cn1ccc2c1c....
18	1Y6A	ic50 = 0.022 uM	AAZ	C23 H21 N3 O4 S	CCS(=O)(=O....
19	3IK3	ic50 = 2 nM	0LI	C29 H27 F3 N6 O	Cc1ccc(cc1....
20	3QRJ	ic50 = 4 nM	919	C30 H28 F N7 O3	CC(C)(C)c1....
21	3OY3	ic50 = 35.8 nM	XY3	C29 H31 F3 N6 O3	Cc1ccc(cc1....
22	5HU9	Kd = 24.2 nM	66K	C32 H36 F3 N5 O3	Cc1ccc(cc1....
23	2G2H	Ki ~ 1 uM	P16	C21 H16 Cl2 N4 O2	CN1c2c(cnc....
24	6BL8	-	PVB	C20 H25 Cl N6 O3	CC(C)[C@H]....
25	3PYY	-	3YY	C18 H13 F N4 O2	c1ccc(cc1)....
26	1OPJ	-	MYR	C14 H28 O2	CCCCCCCCCC....
27	3CS9	ic50 < 33 uM	NIL	C28 H22 F3 N7 O	Cc1ccc(cc1....
28	3MSS	-	STI	C29 H31 N7 O	Cc1ccc(cc1....
29	6NPV	ic50 = 0.00000001 M	KWP	C17 H16 Cl2 N4 O2	c1cc(c(cc1....
30	3KFA	ic50 = 25 nM	B91	C29 H25 F3 N8 O	Cc1ccc(cc1....
31	3MS9	-	MS9	C8 H8 Cl N O2	COC(=O)c1c....
32	6NPE	ic50 = 0.00000001 M	KWD	C12 H7 Cl2 N3 O S	c1cc(c(cc1....
33	2GQG	-	1N1	C22 H26 Cl N7 O2 S	Cc1cccc(c1....
34	4WA9	Ki = 3800 pM	AXI	C22 H18 N4 O S	CNC(=O)c1c....
35	4XLI	Kd = 0.17 nM	1N1	C22 H26 Cl N7 O2 S	Cc1cccc(c1....
36	2HYY	ic50 = 170 nM	STI	C29 H31 N7 O	Cc1ccc(cc1....
37	2HZI	ic50 = 70 nM	JIN	C21 H15 Cl2 F N4 O	Cc1cc(ccc1....
38	3KF4	ic50 < 0.5 nM	B90	C23 H22 N7 O P	Cc1ccc2c(c....
39	3K5V	-	STI	C29 H31 N7 O	Cc1ccc(cc1....
40	2HZ0	ic50 = 330 nM	GIN	C23 H22 F3 N3 O2	CCCc1ccc(c....
41	6HD4	-	FYW	C21 H18 F3 N5 O3	c1cc(ccc1N....
42	3UE4	-	DB8	C26 H29 Cl2 N5 O3	CN1CCN(CC1....
43	6NPU	ic50 = 0.00000001 M	KWV	C11 H11 Cl2 N3 O	CC(=O)NC1=....
44	2E2B	ic50 = 11 nM	406	C30 H31 F3 N8 O	Cc1ccc(cc1....
45	4TWP	Ki = 100 pM	AXI	C22 H18 N4 O S	CNC(=O)c1c....
46	2V7A	Kd = 0.005 uM	627	C26 H30 N6 O3	CN1CCN(CC1....
47	3QRI	ic50 = 0.8 nM	919	C30 H28 F N7 O3	CC(C)(C)c1....
48	1FPU	Ki = 37 nM	PRC	C22 H18 N6 O	Cc1ccc(cc1....
49	6HD6	-	FYH	C19 H19 F3 N2 O3	c1cc(cc(c1....
50	3OXZ	ic50 = 8.6 nM	0LI	C29 H27 F3 N6 O	Cc1ccc(cc1....
51	2QOH	-	P3Y	C22 H20 N4 O2	CN(C)C(=O)....
52	1IEP	ic50 = 100 nM	STI	C29 H31 N7 O	Cc1ccc(cc1....
53	2F4J	-	VX6	C23 H28 N8 O S	Cc1cc([nH]....
54	3QRK	ic50 = 57 nM	9DP	C24 H25 Cl2 N5 O3	CC(C)(C)c1....
55	2HIW	ic50 = 8 nM	7MP	C22 H18 F3 N6 O2	Cc1ccc(cc1....
56	2Z60	-	P3Y	C22 H20 N4 O2	CN(C)C(=O)....
57	5NK3	Kd = 38.02 nM	92Q	C22 H22 Cl N5 O2 S	Cc1cccc(c1....
58	5NKB	Kd = 0.759 nM	8ZT	C25 H28 Cl N5 O3 S	Cc1cccc(c1....
59	5IA3	Kd = 46 nM	P17	C21 H16 Cl2 N4 O S	CN1c2c(cnc....
60	5I9V	-	AGS	C10 H16 N5 O12 P3 S	c1nc(c2c(n....
61	5NK8	Kd = 0.229 uM	90Z	C27 H32 Cl N5 O3 S	Cc1cccc(c1....
62	5I9Z	Kd = 9 nM	627	C26 H30 N6 O3	CN1CCN(CC1....
63	5IA5	Kd = 25 nM	GV0	C33 H37 F2 N7 O4	CN1CCN(CC1....
64	5I9W	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
65	5NK4	Kd = 1.995 nM	90E	C23 H22 Cl F2 N5 O2 S	Cc1cccc(c1....
66	5IA2	Kd = 19 nM	L66	C22 H19 N5 O4	Cc1ccc(cc1....
67	5NKA	Kd = 3.47 uM	91H	C25 H25 Cl N4 O4 S	Cc1cccc(c1....
68	5NKI	Kd = 18.62 nM	8ZW	C22 H23 Cl N4 O4 S2	Cc1cccc(c1....
69	5NK6	Kd = 0.158 uM	90W	C24 H25 Cl N4 O3 S	Cc1cccc(c1....
70	5I9X	Kd = 30 nM	DB8	C26 H29 Cl2 N5 O3	CN1CCN(CC1....
71	6FNG	Kd = 73 nM	DWT	C26 H20 F3 N7 O	Cc1ccc(cc1....
72	5NKH	Kd = 25.7 nM	8ZQ	C29 H29 Cl N6 O2 S	Cc1cccc(c1....
73	5IA1	Kd = 530 nM	ZZL	C25 H15 Cl F2 N4 O2	c1cc(c(c(c....
74	5NK2	Kd = 0.182 uM	8ZZ	C23 H23 Cl F N5 O2 S	Cc1cccc(c1....
75	5IA0	Kd = 187 nM	A5B	C27 H20 Cl F N4 O4	COc1cccc(c....
76	5I9Y	Kd = 2.8 nM	1N1	C22 H26 Cl N7 O2 S	Cc1cccc(c1....
77	5NK9	Kd = 0.724 uM	912	C25 H29 Cl N4 O3 S	Cc1cccc(c1....
78	1MQB	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
79	5NK5	-	90K	C24 H20 Cl N5 O2 S	Cc1cccc(c1....
80	5NKG	Kd = 20.89 nM	8ZK	C25 H28 Cl N5 O2 S	CCc1cc(cc(....
81	5NJZ	Kd = 16.6 nM	8ZH	C23 H24 Cl N5 O2 S	Cc1cccc(c1....
82	6FNH	-	DXK	C11 H10 N6	Cn1c2c(cn1....
83	5NKF	-	8ZN	C24 H23 Cl F3 N5 O2 S	Cc1cccc(c1....
84	5NK0	-	91E	C23 H26 Cl N5 O2 S	Cc1cccc(c1....
85	5NKE	-	90B	C23 H23 Br Cl N5 O2 S	Cc1cccc(c1....
86	5NK7	Kd = 0.468 nM	8ZZ	C23 H23 Cl F N5 O2 S	Cc1cccc(c1....
87	5NK1	-	90N	C22 H19 Cl N8 O2 S	Cc1cccc(c1....
88	5NKD	Kd = 26.3 nM	91K	C24 H23 Cl N4 O4 S	Cc1cccc(c1....
89	6FNF	Kd = 13 nM	DXH	C26 H20 F3 N7 O	Cc1ccc(cc1....
90	5NKC	Kd = 18.62 nM	90T	C23 H21 Cl N4 O4 S	Cc1cccc(c1....
91	5IA4	Kd = 52 nM	88Z	C34 H34 F2 N4 O6	COc1cc2c(c....
92	5BMM	Ki = 0.01 uM	FUM ALC PFF PPN ORN	n/a	n/a
93	3G6H	ic50 = 4.6 nM	G6H	C32 H28 F3 N7 O4	Cc1ccc(cc1....
94	4FIC	ic50 = 20 uM	0UL	C11 H9 N5	c1ccc(cc1)....
95	3DQX	-	AMP	C10 H14 N5 O7 P	c1nc(c2c(n....
96	4MXO	Kd = 0.73 nM	DB8	C26 H29 Cl2 N5 O3	CN1CCN(CC1....
97	3F6X	-	IHH	C22 H19 N7	c1ccc2c(c1....
98	3G6G	ic50 = 2.8 nM	G6G	C35 H37 N9 O2	Cc1ccc(cc1....
99	3U51	Kd = 3.1 uM	08X	C38 H49 N9 O7	c1ccc(cc1)....
100	3F3T	Kd = 26 uM	1AU	C24 H25 N5 O	CC(C)(C)c1....
101	3EL8	ic50 = 25 nM	PD5	C22 H20 F3 N7 O	CC(C)n1c2c....
102	4LGG	ic50 = 3 nM	VGG	C17 H21 N5	Cc1cccc(c1....
103	2OIQ	Kd = 42 uM	STI	C29 H31 N7 O	Cc1ccc(cc1....
104	4YBK	Kd = 15 nM	4B7	C27 H29 N7 O3 S	Cc1nc(cc(n....
105	1YOL	-	S03	C25 H27 N5 O2	COc1cccc(c....
106	3F3U	Kd = 18 uM	1AW	C20 H23 N5 O	CC(C)(C)c1....
107	3U4W	ic50 = 0.13 uM	08L	C36 H46 N8 O8	c1ccc(cc1)....
108	4O2P	Ki = 0.2 uM	11V	C25 H27 Cl N6 O S	c1ccc(cc1)....
109	2BDJ	ic50 = 0.00045 uM	HET	C26 H30 N5 O2 P	CP(=O)(C)c....
110	2BDF	ic50 = 0.067 uM	24A	C20 H28 N6 O5 P2	CCn1cnc2c1....
111	6WIW	Ki = 7.7 nM	I14	C20 H21 N5 O2	Cc1ccc(cc1....
112	3GEQ	-	PP2	C15 H17 Cl N5	CC(C)(C)n1....
113	3EN6	ic50 = 0.235 uM	KS5	C17 H16 N6	CC(C)n1c2c....
114	3UQG	-	B5A	C11 H16 N6	c1c2c(ncnc....
115	3UQF	Ki = 0.2 uM	BK5	C20 H21 N5 O	CCOc1ccc2c....
116	4U5J	ic50 = 2.92 uM	RXT	C17 H18 N6	c1c[nH]c2c....
117	3G5D	Kd = 11 nM	1N1	C22 H26 Cl N7 O2 S	Cc1cccc(c1....
118	3DQW	-	AGS	C10 H16 N5 O12 P3 S	c1nc(c2c(n....
119	5HES	Kd = 29 nM	032	C23 H18 Cl F2 N3 O3 S	CCCS(=O)(=....
120	6JUU	ic50 = 4 nM	C9R	C25 H17 F2 N7 O3 S	COc1c2cc(c....
121	6JUT	ic50 = 2.1 nM	C9O	C21 H14 Br F2 N7 O3 S	COc1c2cc(c....
122	4ZSA	ic50 = 15 nM	4UT	C27 H29 N5 O2	CCN1CCN(CC....
123	5Z0S	-	960	C16 H11 Cl N8 O2 S	Cn1cc(cn1)....
124	6ITJ	ic50 = 10.8 nM	AXU	C21 H17 N5 O2	Cc1ccc2c(c....
125	5B7V	ic50 = 9.3 nM	LWJ	C20 H16 N6 O	Cc1[nH]c2c....
126	3JS2	-	VM1	C10 H7 N O2 S	c1cc(sc1)c....
127	5A4C	Kd = 5.7 nM	XOJ	C27 H39 N7 O3	CCN(CC)CCC....
128	5O4A	-	9K8	C19 H20 F N5 O7 S	CCc1ccc(cc....
129	5AM7	Kd = 64.5 nM	38O	C21 H21 F N6 O	CN1CCN(CC1....
130	1FGI	-	SU1	C17 H16 N2 O3	Cc1c[nH]c(....
131	4V04	Kd = 7.7 nM	0LI	C29 H27 F3 N6 O	Cc1ccc(cc1....
132	4RWL	Kd = 8 nM	3ZC	C26 H25 N3 O4	CNC(=O)c1c....
133	4NKS	Kd = 69.1 nM	2M2	C20 H21 N7 O	Cc1cc(on1)....
134	4F64	ic50 = 63 nM	0S8	C16 H20 Br N7 O2	Cc1cc(on1)....
135	5EW8	-	5SF	C25 H30 N6 O2	CC(C)NCCN(....
136	4RWJ	Kd = 2 nM	66T	C26 H33 N5 O3	C[C@@H]1CN....
137	3RHX	ic50 = 0.84 uM	3RH	C18 H15 N3	c1ccc(cc1)....
138	4NKA	Kd = 447 nM	2K7	C22 H25 N7 O3	Cc1cc(on1)....
139	2FGI	Ki = 36.4 nM	PD1	C28 H41 N7 O3	CCN(CC)CCC....
140	3C4F	ic50 = 1.9 uM	C4F	C15 H14 N2 O	COc1cccc(c....
141	6MZQ	ic50 = 3.9 nM	TZ0	C22 H22 N6 O3	COc1cc(cc(....
142	1AGW	-	SU2	C20 H21 N3 O2	c1ccc2c(c1....
143	5UR1	ic50 = 1.06 nM	YY9	C31 H35 Cl2 N7 O4	CN(C)C/C=C....
144	4F65	ic50 = 2.5 nM	0S9	C20 H20 Br N7 O	Cc1cc(on1)....
145	5AM6	Kd = 185 nM	38O	C21 H21 F N6 O	CN1CCN(CC1....
146	2OH4	ic50 = 3.5 nM	GIG	C23 H17 F4 N5 O4	COC(=O)Nc1....
147	6XVJ	-	O35	C28 H30 N4 O4	Cc1cc(cc(c....
148	3CP9	-	C19	C24 H23 N5 O	CC1=C(C(=O....
149	6GQO	-	F82	C25 H27 N5 O5	CC(C)n1cc(....
150	3BE2	ic50 = 2 nM	RAJ	C29 H29 F3 N6 O	Cc1ccc(cc1....
151	2P2H	ic50 = 68 nM	994	C23 H22 N6 O3	COc1cc(cc(....
152	4AG8	Ki = 1.1 nM	AXI	C22 H18 N4 O S	CNC(=O)c1c....
153	3CPC	-	C52	C21 H15 F3 N4 O	CC1=C(C(=O....
154	6GQQ	-	F8B	C23 H24 N6 O4	CC(C)c1cn(....
155	3CJG	-	KIM	C22 H24 N6 O3	Cc1c2ccc(c....
156	3VO3	ic50 = 1.4 nM	0KF	C22 H21 N7 O3	Cc1cc(n(n1....
157	3VNT	ic50 = 2.2 nM	0JA	C27 H19 Cl F N5 O3 S	c1cc(c(c(c....
158	3WZE	Kd = 33 nM	BAX	C21 H16 Cl F3 N4 O3	CNC(=O)c1c....
159	1YWN	ic50 ~ 0.003 uM	LIF	C27 H19 F4 N5 O3	COc1ccc(cc....
160	3WZD	Kd = 2.1 nM	LEV	C21 H19 Cl N4 O4	COc1cc2c(c....
161	5EW3	ic50 = 0.0012 uM	5T2	C20 H16 F3 N3 O	c1ccc(c(c1....
162	6XVK	ic50 = 0.538 uM	O3E	C31 H28 N4 O5	CC#CC1=Nc2....
163	3CJF	ic50 = 6.3 nM	SAV	C21 H22 N6 O3	Cc1c2ccc(c....
164	2QU6	Ki = 3 nM	857	C26 H26 Cl N5 O4	CNC(=O)c1c....
165	3U6J	-	03X	C29 H25 F N4 O5	CC1=C(C(=O....
166	3EWH	ic50 = 69 nM	K11	C28 H20 F3 N7 O	CNc1nccc(n....
167	2P2I	ic50 = 38 nM	608	C24 H20 N4 O2	c1ccc(cc1)....
168	3C7Q	ic50 = 21 nM	XIN	C31 H33 N5 O4	CN1CCN(CC1....
169	6GQP	-	F88	C23 H23 N5 O4	CCn1cc(cn1....
170	6DKI	-	GOD	C20 H19 F5 N4 O4	CNC(=O)c1c....
171	5JFV	ic50 = 6 nM	6K1	C23 H21 Cl N6 O2	CC(C)n1cc(....
172	5KMJ	-	6UF	C20 H17 N3 O S	c1ccc2c(c1....
173	6D1Z	-	FQM	C22 H17 Cl N6 O2	c1ccc(cc1)....
174	6D20	-	FQG	C26 H23 Cl2 N5 O3	CC(C)(CNC(....
175	4YNE	-	4EK	C21 H18 F N5	c1ccnc(c1)....
176	5KMK	-	6UG	C20 H13 F5 N2 O	Cc1ccc(c(n....
177	4PMM	Kd = 27 nM	31V	C27 H26 N8 O2	Cc1cn(cn1)....
178	6NSS	ic50 = 1.4 nM	L0M	C27 H21 N5 O2	Cc1c2nc(c(....
179	4PMP	Kd ~ 400 nM	31W	C21 H18 F3 N3 O2 S	c1cc(cc(c1....
180	5H3Q	ic50 = 6 nM	7HF	C26 H31 F2 N5 O3	CCOc1c(c(n....
181	6D1Y	-	FQJ	C17 H13 Cl2 N3 O	Cc1cc(n(n1....
182	6NSP	ic50 = 44.1 pM	L0P	C24 H20 N4 O2 S	Cc1cccn2c1....
183	5KMI	-	6UE	C25 H20 N4 O	Cc1ncc(c(n....
184	6PL1	Kd = 0.000000064 M	OOJ	C20 H15 F3 N6 O2 S2	CC1=CN2C(=....
185	5KML	-	6UH	C19 H16 F3 N3 O2	Cc1c(c(no1....
186	4PMT	ic50 = 997 nM	31Y	C23 H23 N7 O	c1cc(cnc1)....
187	5KMM	-	6UJ	C22 H18 N4 O	Cc1ncc(c(n....
188	4YPS	-	4F6	C23 H18 F N5 O	c1cc(cc(c1....
189	6J5L	ic50 = 1.6 nM	B9C	C24 H27 N7 O2 S	CS(=O)(=O)....
190	5JFW	ic50 = 62 nM	6K2	C24 H20 N6 O2	CC(C)n1cc(....
191	5JFX	ic50 = 6 nM	6K4	C23 H22 Cl N7 O3	CC(C)(CO)n....
192	5KMN	-	6UK	C20 H17 F3 N4 O	Cc1ncc(c(n....
193	5JFS	ic50 = 2 nM	6K0	C22 H19 F2 N7 O2	CC(C)n1cc(....
194	6NPT	ic50 = 68.3 pM	KWY	C26 H25 N3 O	CC(C)(C)c1....
195	4F1T	-	H52	C16 H21 N3 O2 S	Cc1cncc2c1....
196	4YZN	ic50 = 15.4 uM	4K5	C20 H21 F4 N5 O3	COc1cc(c(c....
197	4F1M	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
198	4F1O	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
199	4F0F	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
200	6HZU	ic50 = 5.5 nM	GYQ	C18 H17 N7 O2	c1c2c(nc(n....
201	6N78	Ki = 0.21 nM	KEP	C18 H13 Cl F2 N6 O2	Cn1cc(c(n1....
202	4IVB	Ki = 1.9 nM	1J5	C17 H19 N5 O	C[C@H](c1n....
203	4EI4	Ki = 1.8 nM	0Q2	C15 H18 N4 O	Cc1nc2cnc3....
204	4IVC	Ki = 0.1 nM	1J6	C18 H21 N5 O	C[C@H](c1n....
205	3EYG	ic50 = 1.6 nM	MI1	C16 H20 N6 O	C[C@@H]1CC....
206	4K77	Ki = 235 nM	1Q4	C13 H16 N4 O	c1nc2c(c(n....
207	4EHZ	Ki = 10 nM	JAK	C14 H17 N5	Cc1nc2cnc3....
208	6N77	Ki = 0.57 nM	KEJ	C18 H15 Cl N6 O2	Cn1cc(c(n1....
209	5WO4	ic50 = 0.1 nM	B7V	C17 H18 Cl N5 O3	COc1cc(ccc....
210	6DBN	ic50 = 17 nM	G4J	C18 H21 F2 N7 O	Cn1cc(cn1)....
211	6N7C	Ki = 0.67 nM	KF1	C21 H16 N6 O2	COc1cc2ccc....
212	4I5C	Ki = 1.5 nM	C5I	C15 H15 N7 O	c1c[nH]c2c....
213	4IVD	Ki = 0.3 nM	15T	C19 H23 N5 O	C[C@H](c1n....
214	5E1E	ic50 = 0.022 uM	5JG	C20 H23 Cl F N5 O2	COc1cc(c(c....
215	6W8L	ic50 = 774 nM	R4S	C18 H22 F N7 O2	c1c(cn(n1)....
216	6SMB	ic50 = 0.018 uM	LKQ	C25 H24 N8 O2	Cc1cnc(nc1....
217	6N7A	Ki = 4.3 nM	KEV	C19 H17 Cl N6 O2	Cn1cc2cncc....
218	6N7D	Ki = 0.3 nM	KF4	C18 H14 N8 O2	COc1cc2c(c....
219	6N7B	Ki = 0.6 nM	KEY	C18 H15 Cl N6 O2	Cn1cc(c(n1....
220	4E5W	Ki = 22 nM	0NT	C21 H28 N6 O	CC(C)N1CCC....
221	6BBU	ic50 = 0.029 uM	D7D	C14 H21 N5 O2 S	CCCS(=O)(=....
222	5HX8	ic50 = 0.1 nM	66P	C18 H21 N5 O	c1ccc2c(c1....
223	6TPF	ic50 = 0.0064 uM	NTQ	C17 H20 F2 N4 O2	Cc1c2c(n[n....
224	3EYH	ic50 = 20 nM	IZA	C18 H16 F N3 O	CC(C)(C)c1....
225	4E4N	Ki = 0.9 nM	0NL	C18 H23 N5 O2	CC(C)(C)OC....
226	6AAH	-	9T6	C18 H22 N4 O2	c1c[nH]c2c....
227	4E4L	Ki = 1.7 nM	0NH	C15 H19 N5 O2 S	CC1(CCN(CC....
228	4FK6	Ki = 0.2 nM	0UJ	C17 H21 N5 O2 S	CS(=O)(=O)....
229	6N79	Ki = 0.21 nM	KES	C17 H11 Cl F2 N6 O2	c1cnc2c(cn....
230	6TPD	ic50 = 2.2 uM	QZ8	C13 H11 N3 O	Cc1c2c(n[n....
231	3LPB	ic50 = 42 nM	NVB	C24 H23 N3 O5 S	CNS(=O)(=O....
232	4E4M	Ki = 11 nM	0NH	C15 H19 N5 O2 S	CC1(CCN(CC....
233	4HGE	Ki = 11.9 nM	15V	C17 H13 Cl N6 O	Cc1cc(n(n1....
234	5CF6	ic50 = 8.2 nM	50O	C20 H26 N6 O3	CNc1c2c(c3....
235	2XA4	ic50 < 0.003 uM	AZ5	C14 H14 Cl F N8	Cc1cc([nH]....
236	5TQ4	ic50 = 4.2 nM	7GY	C16 H15 N3 O2	CCc1cc(ccc....
237	5USY	-	SKE	C15 H12 F2 N6 O3 S	c1cc(c(c(c....
238	3FUP	ic50 = 21.7 nM	MI1	C16 H20 N6 O	C[C@@H]1CC....
239	3JY9	Ki = 0.001 uM	JZH	C21 H15 N3 O2	c1ccc2c(c1....
240	5CF5	ic50 = 2.5 nM	50W	C23 H27 N7 O S	CCn1c(cc2c....
241	6X8E	ic50 = 65 nM	UWP	C20 H18 F3 N9	Cn1cc(cn1)....
242	3E62	ic50 = 40.9 uM	5B1	C7 H6 Br N3	c1cc2c(cc1....
243	4YTC	-	4HW	C18 H16 N8	c1ccc(cc1)....
244	4E6D	Ki = 1.2 nM	0NU	C16 H16 N6 O	c1c[nH]c2c....
245	3TJC	ic50 = 0.031 uM	0TP	C19 H20 N4 O2 S	CNC(=O)c1c....
246	4D0X	ic50 = 0.008 uM	953	C16 H11 Cl F3 N5 O	c1cc(c(cc1....
247	4GMY	Ki = 0.028 uM	0X5	C16 H13 Cl2 N3 O2	c1cc(c(c(c....
248	4D0W	ic50 = 0.02 uM	VVQ	C16 H14 Cl N5 O	Cc1ccc(cc1....
249	4C61	ic50 = 0.004 uM	LMM	C17 H17 F N8 S	Cc1csc2c1n....
250	3KRR	ic50 = 0.48 nM	DQX	C27 H28 F2 N6 O	c1cc(c2c(c....
251	5CF8	ic50 = 1.1 nM	50V	C23 H28 N8 O	CCn1c(cc2c....
252	4JIA	Ki = 0.0006 uM	1K3	C24 H26 N6 O	CN1CCN(CC1....
253	4D1S	ic50 = 0.022 uM	BJG	C28 H30 Cl N7 O	Cc1ccc(cc1....
254	4BBF	ic50 = 2.2 nM	O19	C25 H28 N6 O2	c1cc(ccc1c....
255	3E64	ic50 = 0.078 uM	5B3	C17 H20 N4 O2 S	CC(C)(C)NS....
256	6AAJ	-	9T6	C18 H22 N4 O2	c1c[nH]c2c....
257	5WEV	Ki = 0.15 uM	9ZS	C16 H12 Cl2 N4 O	c1cc(c(c(c....
258	4E6Q	Ki = 4.4 nM	0NV	C20 H21 N5	c1ccc(cc1)....
259	5TQ5	ic50 = 58.8 nM	7GX	C22 H20 N4 O2	CCc1cc(ccc....
260	2B7A	ic50 = 1 nM	IZA	C18 H16 F N3 O	CC(C)(C)c1....
261	3E63	ic50 = 1.6 uM	5B2	C13 H11 N3	c1ccc(cc1)....
262	5TQ6	ic50 = 123.6 nM	7GV	C18 H26 N6 O	C[C@@H]1CC....
263	4YTF	Ki = 0.007 uM	4HZ	C16 H13 Cl F4 N6 O	C[C@@H](C(....
264	5AEP	ic50 = 0.068 uM	QUP	C18 H14 Cl N5 O	Cc1ccc(cc1....
265	4GFM	Ki = 0.06 uM	0X2	C12 H8 Cl2 N2 O2	c1cc(c(c(c....
266	6BBV	ic50 = 0.803 uM	D7D	C14 H21 N5 O2 S	CCCS(=O)(=....
267	3Q32	ic50 = 0.0018 uM	J2I	C23 H24 F2 N8 O2	Cc1cc([nH]....
268	4JI9	-	1M3	C26 H35 N7 O2 S	Cc1cnc(nc1....
269	3RVG	ic50 = 5 nM	17P	C22 H24 N6 O	Cn1cc(cn1)....
270	5TQ8	ic50 = 23.1 nM	7GS	C31 H31 F N8 O2	CCc1cc(c(c....
271	3UGC	-	046	C28 H30 F3 N7 O3	CC(=O)Nc1c....
272	4YTH	Ki = 0.002 uM	467	C17 H15 Cl F4 N6 O	CC(C)(C(=O....
273	4IVA	-	1J5	C17 H19 N5 O	C[C@H](c1n....
274	4BBE	ic50 = 3.6 nM	3O4	C22 H23 N5 O2	CC(=O)Nc1c....
275	3IOK	Ki = 0.0002 uM	1P6	C18 H16 F N7	C[C@@H](c1....
276	5CF4	ic50 = 40 nM	50Y	C22 H30 N6 O2	CCn1c(cc2c....
277	5L3A	Kd = 13 uM	6DP	C8 H9 N3 O2 S	CS(=O)(=O)....
278	4P7E	-	2HB	C21 H23 N5 O3 S	c1cc(n2c(c....
279	4F09	Ki = 200 nM	JAK	C14 H17 N5	Cc1nc2cnc3....
280	4AQC	ic50 = 0.9 nM	88A	C23 H23 N5 O3 S	CS(=O)(=O)....
281	5TQ7	-	7GT	C24 H30 N6 O3 S	C[C@@H]1CC....
282	3KCK	Ki = 0.0008 uM	3KC	C20 H12 Cl N3 O	c1ccc2c(c1....
283	2WGJ	Ki = 0.002 uM	VGH	C21 H22 Cl2 F N5 O	C[C@H](c1c....
284	4DEH	ic50 = 612 nM	0JK	C21 H17 N5 O	c1ccc(cc1)....
285	4IWD	ic50 = 1 nM	1JC	C29 H28 N6 O3 S	c1ccnc(c1)....
286	3F82	Ki = 4.6 nM	353	C25 H19 Cl F2 N4 O4	CCOC1=C(C(....
287	5YA5	ic50 = 0.19 uM	6TD	C19 H15 N5 O S	COc1ccc(cc....
288	4XYF	-	44X	C24 H22 F N5 O3	Cc1cc(on1)....
289	2RFS	-	AM8	C23 H22 Cl N3 O3 S	Cc1c(c([nH....
290	6UBW	ic50 < 1 nM	84S	C21 H17 F2 N9 O	Cn1cc(cn1)....
291	4R1V	ic50 < 1 nM	3E8	C29 H28 N6 O2	CN1CCC(CC1....
292	3CTH	ic50 = 0.035 uM	319	C20 H16 F2 N4 O3	c1cc(ccc1C....
293	4AOI	Ki = 0.004 uM	4K0	C19 H12 N8	c1cc2c(c[n....
294	3DKC	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
295	4XMO	ic50 = 2 nM	46G	C22 H17 F2 N5 O2	Cc1cc(on1)....
296	4R1Y	ic50 = 400 nM	3EH	C26 H34 N4 O5 S	CCN(CC)CCC....
297	4GG5	ic50 = 0.93 nM	0J3	C22 H22 F3 N5 O2	CN1CCN(CC1....
298	4AP7	Ki = 0.011 uM	F47	C17 H12 F N5 O	c1cc(ccc1C....
299	6SDD	-	353	C25 H19 Cl F2 N4 O4	CCOC1=C(C(....
300	3Q6W	Kd = 27 nM	Q6W	C31 H30 N6 O2	c1ccnc(c1)....
301	3CD8	ic50 = 9 nM	L5G	C22 H17 N5 O2	COc1ccc2c(....
302	4EEV	ic50 = 4.7 nM	L1X	C30 H22 F2 N6 O3	CC1=CC=C(C....
303	3RHK	ic50 = 520 nM	M97	C23 H16 N3 O2	c1ccc2c(c1....
304	4GG7	ic50 = 6.5 nM	0J8	C23 H21 F3 N8 O2	c1cc(cc(c1....
305	3ZZE	Ki = 0.0013 uM	6XP	C18 H18 Cl N3 O3	Cc1ccc(c2c....
306	3U6I	-	044	C30 H27 F N4 O5	CC1=C(C(=O....
307	4DEI	ic50 = 1 nM	0JL	C23 H22 N6 O3 S	Cc1cc(sn1)....
308	2WD1	ic50 = 82 nM	ZZY	C14 H10 N4 O5 S	c1ccc(c(c1....
309	3CE3	ic50 = 1.8 nM	1FN	C25 H16 F2 N4 O3	c1cc(ccc1N....
310	3LQ8	ic50 = 0.4 nM	88Z	C34 H34 F2 N4 O6	COc1cc2c(c....
311	3EFK	Ki = 14 nM	MT4	C28 H22 F2 N4 O4	CN1C(=O)C(....
312	3ZCL	Ki = 0.0101 uM	5TF	C17 H19 N7	C[C@@H](c1....
313	5UAB	-	84M	C16 H13 N7 O S	c1ccn2c(c1....
314	5UAD	-	84P	C21 H19 N9 O	Cn1cc(cn1)....
315	3ZC5	Ki = 0.0103 uM	W9Z	C20 H17 N7	C[C@@H](c1....
316	3U6H	Ki = 1 nM	03X	C29 H25 F N4 O5	CC1=C(C(=O....
317	3ZBX	Ki = 0.006 uM	6XE	C20 H13 F N6	c1cc2cc(cc....
318	1R0P	Kd = 10 nM	KSA	C27 H21 N3 O5	C[C@@]12[C....
319	6SDE	-	V0L	C17 H15 N9	C[C@@H](c1....
320	5HOR	ic50 = 6 nM	63K	C25 H23 F N8 O2 S2	c1cc(ccc1c....
321	5HO6	ic50 = 204 nM	63K	C25 H23 F N8 O2 S2	c1cc(ccc1c....
322	3VW8	-	DF6	C26 H23 N3 O4 S	COc1cc2c(c....
323	3L8V	ic50 = 0.008 uM	L8V	C23 H16 F3 N5 O2	c1cc(c(nc1....
324	5EYD	ic50 = 1 nM	5T1	C23 H22 F N7 O3	C[C@H](c1n....
325	4DEG	ic50 = 6 nM	0JJ	C19 H16 N8 O S	Cc1cc(sn1)....
326	5HLW	ic50 = 23 nM	62E	C26 H28 N8 O S3	CCN1CCC(CC....
327	5HNI	ic50 = 10 nM	63B	C20 H14 F N7 O2 S	COC(=O)Nc1....
328	3R7O	-	M61	C28 H32 N6 O5 S	CN(C[C@@H]....
329	3DKG	-	SX8	C18 H13 N7 S	Cn1cc(cn1)....
330	5EOB	ic50 = 0.24 nM	5QQ	C20 H11 F3 N6	c1cc2cc(cc....
331	5HOA	ic50 = 64 nM	63K	C25 H23 F N8 O2 S2	c1cc(ccc1c....
332	3ZXZ	Ki = 0.004 uM	KRW	C19 H16 N8 O	c1cc2cc(cc....
333	3DKF	Ki = 2.7 nM	SX8	C18 H13 N7 S	Cn1cc(cn1)....
334	6SDC	-	88Z	C34 H34 F2 N4 O6	COc1cc2c(c....
335	5EYC	ic50 = 3 nM	5SZ	C20 H15 F N6 O2	Cc1cc(on1)....
336	3CTJ	ic50 = 0.11 uM	320	C22 H16 F2 N4 O3	c1cc(ccc1C....
337	2RFN	ic50 = 5 nM	AM7	C35 H35 F N4 O5	CN1C(=NC=C....
338	3QTI	ic50 = 14 nM	3QT	C20 H16 N6	Cn1cc(cn1)....
339	3CCN	ic50 = 120 nM	LKG	C18 H14 N4 O	c1ccc(cc1)....
340	3F66	ic50 = 0.9 uM	IHX	C20 H19 F3 N4 O	CN1CCN(CC1....
341	2WKM	ic50 = 9 nM	PFY	C32 H34 Cl2 N4 O4 S	Cc1c([nH]c....
342	3I5N	ic50 = 17 nM	B2D	C21 H17 N7 O	COc1cc2c(c....
343	4KNB	ic50 = 0.047 uM	1RU	C23 H22 Cl2 F N5 O2	C[C@H](c1c....
344	6SD9	-	88Z	C34 H34 F2 N4 O6	COc1cc2c(c....
345	3TUC	ic50 = 100 nM	FPW	C29 H24 N4 O5	COc1cc2c(c....
346	4YJQ	-	4DK	C24 H23 N7 O2	Cc1c(ocn1)....
347	4I0R	ic50 = 14 nM	1B4	C19 H22 N4 O4	CC(C)NC(=O....
348	4YJP	-	4DL	C20 H19 N7 O3 S	c1cc2c(cn[....
349	5C27	-	GLU VAL TYR GLU SER	n/a	n/a
350	5LMB	ic50 = 16 nM	6ZF	C20 H25 N7	CN(C)c1ccc....
351	5TR6	ic50 = 3.2 nM	7KG	C17 H21 F N6 O	Cn1cc(cn1)....
352	5Y5U	ic50 = 17.7 nM	8OU	C20 H21 N7 O2	Cn1c2ccc(c....
353	4XG4	ic50 = 21.5 nM	X4G	C24 H30 F N5 O3	Cc1cc(cc(c....
354	4WNM	Ki = 18 nM	3RT	C24 H29 N7 O2	c1cc(n2c(c....
355	4YJT	-	4DQ	C20 H18 F N7 O2 S	CCN(c1cccc....
356	4PV0	Kd = 4 nM	CG4	C28 H23 N5 O5	COc1ccc(cc....
357	4FYO	ic50 = 47 nM	0VF	C25 H24 N6 O5 S	COc1ccc(cc....
358	5LMA	ic50 = 0.25 uM	6ZG	C18 H21 N5	Cc1ccc(cc1....
359	5Y5T	ic50 = 211 nM	8OR	C20 H24 N6 O3 S	CS(=O)(=O)....
360	3FQE	Ki ~ 0.0125 uM	P5C	C18 H24 N6 O	Cc1cccc(c1....
361	4FYN	-	0VE	C22 H23 N5 O2	CCN(CCO)c1....
362	4I0T	ic50 = 26 nM	1B6	C18 H22 N6 O	CC(C)(C)NC....
363	4YJS	-	4DN	C21 H21 N7 O3 S	c1cc2c(cn[....
364	4FL1	Kd = 520 uM	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
365	4RX8	ic50 = 35 nM	3YX	C18 H22 N8 O	c1cc2cc[nH....
366	5CXZ	ic50 = 552 nM	55U	C19 H23 N5	CN(C)c1ccc....
367	5TT7	ic50 = 13 nM	7KF	C19 H24 N6 O	Cc1cccc(c1....
368	5CY3	ic50 = 16 nM	55Y	C16 H16 N4 O3 S	C[C@H]([C@....
369	3TUD	ic50 = 2.1 nM	FPX	C29 H22 F3 N5 O2	Cc1ccc(cc1....
370	4FZ6	ic50 = 127 nM	0VG	C22 H22 N6	C[C@H]1CCC....
371	4YJU	-	4DO	C19 H16 F N7 O2 S	CN(c1cccc2....
372	6VOV	ic50 = 6.2 nM	R6D	C23 H25 N9 O	c1cc(ccc1N....
373	6HM6	ic50 = 3.16 uM	GDK	C18 H16 N2 O	Cc1ccc(cc1....
374	4XG6	ic50 = 9.7 nM	X6G	C20 H24 N6 O	Cc1cc(cc(c....
375	3VF9	ic50 = 358.2 nM	477	C19 H19 F2 N3 O S	CCC(CC)(c1....
376	3FQH	ic50 = 0.57 uM	057	C21 H22 N4 O2	CC(C)(CO)N....
377	3FQS	ic50 = 0.041 uM	585	C22 H23 F N6 O5	CC1(C(=O)N....
378	4DFL	ic50 = 0.67 uM	0K0	C18 H24 N6 O3 S	CS(=O)(=O)....
379	5TIU	ic50 = 5 nM	7CU	C16 H18 N6 O	C[C@@H](CN....
380	1XBC	ic50 = 0.012 uM	STU	C28 H26 N4 O3	C[C@@]12[C....
381	4PUZ	ic50 = 7.7 nM	CG9	C23 H21 N7 O	c1cc(ccc1N....
382	4XG3	ic50 = 17.5 nM	X3G	C23 H28 F N5 O4 S	Cc1cc(cc(c....
383	4XG7	ic50 = 32.6 nM	X7G	C20 H22 N8 O	Cc1c(cn(n1....
384	6HM7	ic50 = 79.4 nM	GDH	C24 H26 N2 O2	Cc1ccnc(c1....
385	3TUB	ic50 = 320 nM	FPU	C26 H24 N4 O4	COc1cc2c(c....
386	4XG8	ic50 = 1.9 nM	X8G	C20 H21 Cl N8 O	Cc1c(cn(n1....
387	1XBB	Ki = 5 uM	STI	C29 H31 N7 O	Cc1ccc(cc1....
388	4F4P	ic50 = 0.6 nM	0SB	C21 H20 F3 N5	c1cc(cc(c1....
389	4RX7	ic50 = 5 nM	3YV	C18 H22 N10 O	c1cc(cc(c1....
390	4YJO	-	4DF	C20 H18 Cl N7 O2 S	CCN(c1cccc....
391	4RSS	ic50 = 1.7 nM	4MG	C23 H27 N7 O	Cc1c(n(c2c....
392	5CXH	ic50 = 5 nM	55M	C20 H21 N3 O4 S	C[C@H]([C@....
393	3VF8	ic50 = 150 nM	0JE	C17 H21 F N6 O2	CCN(CC)C(=....
394	5C26	ic50 = 0.17 uM	50H	C21 H19 N5 O3	COc1ccc(cc....
395	4PX6	ic50 = 4 nM	2X6	C21 H23 N7 O	c1cc2cc[nH....
396	4RX9	ic50 = 13 nM	3YT	C19 H23 N9 O	c1cc(cc(c1....
397	4DFN	ic50 = 0.02 uM	0K1	C25 H28 N6 O2	Cn1cc(cn1)....
398	4YJR	-	4DJ	C22 H22 N8 O	Cn1c2ccc(c....
399	4I0S	ic50 = 36 nM	1B5	C18 H17 Cl N6 O	CC(C)NC(=O....
400	4GK3	-	L87	C19 H21 N5 O2	CCCCn1c(cn....
401	3FY2	-	LYS GLN TRP ASP ASN TYR GLU PHE ILE TRP	n/a	n/a
402	4TWO	ic50 = 8000 nM	37W	C19 H22 N2 O4 S	Cc1ccc(cc1....
403	4P4C	-	25Q	C18 H15 N5 O2	COc1cccc(c....
404	4GK2	-	L66	C22 H19 N5 O4	Cc1ccc(cc1....
405	4TWN	-	B96	C31 H37 N5 O3	Cc1ccc(cc1....
406	2QOQ	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
407	4GK4	-	L90	C20 H21 N7 O2	CCCCn1c(cn....
408	3FXX	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
409	2QO7	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
410	4P5Q	-	Q0B	C22 H22 Cl N5 O2	CCOCCCNC(=....
411	2QOC	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
412	4P5Z	Kd = 39.3 nM	Q7M	C25 H18 F3 N7 O2	c1ccc2c(c1....
413	2QO9	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
414	3OG7	-	032	C23 H18 Cl F2 N3 O3 S	CCCS(=O)(=....
415	4XV9	ic50 = 0.19 uM	1OO	C21 H11 Cl F5 N3 O3 S	c1cc(ccc1C....
416	6P3D	ic50 = 14 nM	0LI	C29 H27 F3 N6 O	Cc1ccc(cc1....
417	6N0Q	ic50 = 0.04 uM	K7S	C23 H18 F3 N3 O2	Cc1ccc(cc1....
418	5ITA	-	6DC	C19 H19 N5 O3 S	CCCS(=O)(=....
419	5JRQ	-	6N9	C24 H23 F2 N3 O4 S	CCCS(Nc1cc....
420	4XV1	ic50 = 0.0042 uM	904	C24 H22 F2 N6 O3 S	CCN(C)S(=O....
421	4EWH	Ki = 0.0003 uM	T77	C26 H29 N5 O S2	CN(C)CCOc1....
422	3EQP	-	T95	C33 H38 N6 O4	CCOc1ccccc....
423	1U4D	-	DBQ	C11 H11 N5 O2	c1c[nH]c2c....
424	3EQR	Ki = 0.002 uM	T74	C29 H38 N8 O	Cc1cccc(c1....
425	5ZXB	ic50 = 8 nM	9KO	C33 H32 F3 N9 O3	Cc1ccc(cc1....
426	1U59	ic50 = 55.8 nM	STU	C28 H26 N4 O3	C[C@@]12[C....
427	5DA3	ic50 = 80 nM	58V	C23 H22 Cl N7 O2	c1cc(c(cc1....
428	6CZ4	ic50 = 0.076 uM	FKY	C24 H23 F4 N5 O4	Cn1cc(nc1)....
429	6CZ3	ic50 = 0.056 uM	FLJ	C21 H20 F N7 O2	Cc1cn2c(cn....
430	6DUK	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
431	3W32	ic50 = 75 nM	W32	C25 H23 Cl F3 N5 O4 S	CS(=O)(=O)....
432	5CAU	Ki = 1.6 nM	4ZR	C21 H25 F4 N7 O2	C[C@H](c1n....
433	5D41	ic50 = 0.024 uM	57N	C19 H15 N3 O2 S	c1ccc(cc1)....
434	4I22	-	IRE	C22 H24 Cl F N4 O3	COc1cc2c(c....
435	2ITV	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
436	3POZ	ic50 = 23 nM	03P	C26 H25 Cl F3 N5 O3	CC(C)(CC(=....
437	6LUD	-	YY3	C28 H33 N7 O2	Cn1cc(c2c1....
438	5HCY	Ki = 1.2 nM	60D	C26 H30 N8 O4 S	CC(C)n1cc(....
439	5CAP	Ki = 52 nM	4ZH	C19 H26 N6 O3 S	Cc1nc2cnc(....
440	6V5N	-	QP7	C25 H21 F N4 O	c1ccc(cc1)....
441	6JRX	-	9JO	C33 H41 Cl N8 O2	CCC(=O)NC1....
442	3W33	ic50 = 36 nM	W19	C25 H22 Cl N5 O3 S	c1cc(c2ccs....
443	2ITN	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
444	4RJ8	Ki = 17 nM	3QS	C22 H28 N6 O	COC1CCN(CC....
445	6P8Q	-	O57	C20 H15 F N2 O	c1ccc(cc1)....
446	6LUB	ic50 = 0.28 nM	EUX	C31 H34 F3 N9 O3 S	CC(C)n1c2c....
447	5CAS	Ki = 1.4 nM	4ZQ	C21 H25 F4 N7 O2	C[C@H](c1n....
448	7A2A	-	57N	C19 H15 N3 O2 S	c1ccc(cc1)....
449	5X2F	-	7XU	C28 H34 N8	CN1CCN(CC1....
450	3VJN	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
451	3UG2	Kd = 5.6 nM	IRE	C22 H24 Cl F N4 O3	COc1cc2c(c....
452	5X2C	-	7XR	C27 H32 N8	CN1CCN(CC1....
453	6Z4D	-	57N	C19 H15 N3 O2 S	c1ccc(cc1)....
454	5CNN	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
455	5CAQ	Ki = 2.7 nM	4ZJ	C20 H26 F N7 O	Cc1nc2cnc(....
456	2RGP	ic50 = 0.03 uM	HYZ	C24 H27 F N8	c1cc(cc(c1....
457	5UGA	Ki = 161 nM	8BM	C25 H35 N9 O	CC(C)n1cnc....
458	5CNO	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
459	5C8N	Ki = 28 nM	4YX	C22 H32 N8 O	Cc1nc2cnc(....
460	6Z4B	-	9LL	C19 H14 F N3 O3 S	c1ccc2c(c1....
461	5X2A	-	7XO	C25 H30 N8	CC(C)n1c2c....
462	6V5P	-	QP4	C26 H23 F N4 O	COCCCc1[nH....
463	1XKK	Ki = 3 nM	FMM	C29 H26 Cl F N4 O4 S	CS(=O)(=O)....
464	6VHN	-	QQJ	C25 H24 F N5 O2 S	CCC(=O)Nc1....
465	6P1D	-	NQ1	C20 H15 F N2 O	c1ccc(cc1)....
466	3BEL	ic50 = 0.014 uM	POX	C22 H22 F N7 O2	COCCO/N=C/....
467	4OTF	ic50 = 0.006 uM	2VL	C33 H36 N6 O3 S	Cc1c(cccc1....
468	6X3N	ic50 = 0.083 nM	ULV	C26 H22 F3 N7 O3	c1cc(ccc1c....
469	5BQ0	ic50 = 15 nM	4US	C25 H23 Cl N4 O2	CN1CCN(CC1....
470	3PIZ	ic50 = 3.5 uM	03C	C23 H26 N4 O3 S	Cc1ccccc1n....
471	6NFH	-	KLM	C26 H28 N6 O4	CN(C)C[C@@....
472	6X3O	ic50 = 0.21 nM	ULY	C28 H26 F3 N7 O3	COc1cc(ccc....
473	5JRS	ic50 = 4 nM	6MV	C30 H23 F N4 O3	CC(C)(c1cc....
474	6E4F	ic50 = 0.85 nM	HRA	C25 H23 Cl N4 O4	c1ccc(cc1)....
475	5FBO	ic50 = 0.31 nM	5WH	C29 H27 F4 N7 O2	C[C@H]1CC[....
476	5KUP	ic50 = 7.2 nM	6XL	C28 H26 F N7 O3	CC(C)(C)c1....
477	6S90	ic50 = 13 nM	L0Z	C36 H38 N6 O2	Cc1c(cccc1....
478	3GEN	-	B43	C23 H22 N4 O	c1ccc(cc1)....
479	4NWM	ic50 = 0.008 uM	2P5	C34 H35 N7 O3	Cc1c(cccc1....
480	5P9H	-	7G7	C34 H37 F N8 O3	CC(C)(C)c1....
481	4RFY	ic50 = 100 nM	3OU	C34 H36 N6 O5	CN1C=C(C=C....
482	4OT5	-	481	C35 H37 N7 O2	CC(C)(C)c1....
483	4ZLY	ic50 = 3.5 uM	4RU	C9 H8 N4 O	c1ccc2c(c1....
484	5U9D	ic50 = 0.00055 uM	83P	C27 H24 N6 O3	CNC(=O)[C@....
485	4OTQ	-	2V2	C27 H29 N5 O3	Cc1c(cccc1....
486	5VGO	Ki = 1.28 nM	9B1	C29 H29 N5 O3 S	CC1(Cc2c3c....
487	3PJ3	ic50 = 5.6 uM	04L	C29 H23 N5 O2	Cc1ccc(cc1....
488	3PIX	ic50 = 0.1 uM	027	C20 H27 N7 O	Cc1cc(n[nH....
489	5P9G	-	7G6	C35 H35 F N6 O3	CN1CCN(CC1....
490	6HRP	-	GMQ	C34 H34 F N7 O5	CC(C)(C)c1....
491	3PJ2	ic50 = 7.2 uM	04K	C26 H28 F N5 O3	CCN(CC)CCO....
492	5VFI	Ki = 0.91 nM	9AJ	C37 H44 N8 O4	C[C@H]1CN(....
493	6VXQ	ic50 = 3700 nM	RQS	C20 H16 N4 O	c1ccc(cc1)....
494	6NZM	ic50 = 0.001 uM	L9S	C29 H33 F N8 O2	c1cc(cc(c1....
495	6NFI	-	KLP	C21 H22 N4 O3 S	Cc1cccc(c1....
496	5T18	ic50 = 0.5 nM	73T	C32 H30 F2 N4 O4	Cc1c(cccc1....
497	5P9I	-	1E8	C25 H24 N6 O2	C=CC(=O)N1....
498	6HRT	-	GMW	C37 H37 F N6 O5	CC(C)(C)c1....
499	4Z3V	ic50 = 4 nM	4L6	C17 H14 N6 O	Cc1cc2cn[n....
500	6W06	ic50 = 142 nM	S5M	C24 H24 N4 O	CC(C)(C)c1....
501	4RG0	ic50 = 50 nM	3P0	C36 H38 F N7 O3	CC(C)(C#N)....
502	5BPY	-	4UQ	C33 H40 N6 O4	CC(C)(C)c1....
503	6OMU	ic50 = 8.9 nM	MZJ	C25 H27 N5 O2	C=CC(=O)N1....
504	5FBN	ic50 = 0.27 nM	5WF	C29 H28 F3 N7 O3	CC1(COC1)C....
505	6DI0	-	GJG	C12 H17 N3 O	c1cc(ncc1C....
506	6W07	ic50 = 1 nM	S9A	C23 H29 N7 O2	Cc1cc(ccc1....
507	3PJ1	ic50 = 0.048 uM	LHL	C25 H28 Cl2 N6 O2	CCN(CC)CCO....
508	6X3P	ic50 = 0.58 nM	UM4	C30 H28 F3 N7 O3	c1cc(c(cc1....
509	4RFZ	ic50 = 40 nM	3OV	C34 H33 F N6 O5	CN1C=C(C=C....
510	4ZLZ	ic50 = 100 nM	4RV	C15 H13 N5 O	Cc1ccncc1c....
511	4Y95	-	746	C34 H37 N5 O4	Cc1c(cccc1....
512	4RX5	ic50 = 3 nM	3YO	C27 H24 F N7 O2 S	Cc1c(ccc(c....
513	6XE4	ic50 = 2.4 nM	V1G	C28 H27 F2 N5 O4	CC(C)(C)c1....
514	4OT6	-	2V1	C31 H28 N6 O5 S	CS(=O)(=O)....
515	4OTR	-	2V3	C36 H37 F N6 O3	CCN1CCN(CC....
516	5P9F	-	2VL	C33 H36 N6 O3 S	Cc1c(cccc1....
517	3K54	-	1N1	C22 H26 Cl N7 O2 S	Cc1cccc(c1....
518	1OPK	-	MYR	C14 H28 O2	CCCCCCCCCC....
519	5MO4	-	NIL	C28 H22 F3 N7 O	Cc1ccc(cc1....
520	2FO0	-	P16	C21 H16 Cl2 N4 O2	CN1c2c(cnc....
521	3D94	Ki = 157 nM	D94	C30 H31 N7	CN1CCN(CC1....
522	2OJ9	ic50 = 0.39 uM	BMI	C22 H19 N7 O	Cc1cc(cc2c....
523	3I81	ic50 = 13 nM	EBI	C23 H24 F N9 O	C[C@]1(CCC....
524	5HZN	ic50 = 0.061 uM	66A	C27 H29 N5 O	c1ccc(cc1)....
525	4D2R	ic50 = 3.3 uM	DYK	C24 H26 N6 O2	CN1CCC(CC1....
526	3O23	ic50 = 0.5 uM	MQY	C21 H16 F3 N3 O4 S	C[C@H]1C(=....
527	3NW6	ic50 = 7 nM	LGW	C22 H21 F N8 O	c1cc2c(nc(....
528	3NW5	ic50 = 8400 nM	LGX	C22 H21 F N8 O	c1cc2c(nc(....
529	2ZM3	Kd = 0.614 uM	575	C21 H20 Br N3 O2	c1cc(ccc1C....
530	1JQH	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
531	3NW7	ic50 = 5.3 nM	LGV	C19 H17 F N8 O	c1cc2c(nc(....
532	2C0I	-	L1G	C33 H39 N9 O2	Cn1c2ccccc....
533	3VRZ	-	VRZ	C25 H26 N6 O	c1ccc(cc1)....
534	1QCF	-	PP1	C16 H19 N5	Cc1ccc(cc1....
535	5H0B	ic50 = 11 nM	OOQ	C30 H35 N5 O3	CC(C)C[C@@....
536	5H09	ic50 = 1323 nM	OOO	C32 H39 N5 O3	CCOC(=O)[C....
537	3VS3	-	VSE	C29 H34 N6 O	CN1CCN(CC1....
538	2C0T	-	L3G	C32 H36 N8 O3	Cn1c2ccccc....
539	3VS1	-	VSA	C24 H24 N6 O	c1ccc(cc1)....
540	3VS6	-	VSH	C20 H26 N6 O3	CC(C)n1c2c....
541	5H0H	ic50 = 686 nM	OOV	C32 H40 N6 O2	CC(C)C[C@@....
542	3VRY	ic50 = 7.7 nM	B43	C23 H22 N4 O	c1ccc(cc1)....
543	5H0G	ic50 = 111 nM	OOU	C31 H38 N6 O2	CC(C)C[C@@....
544	5H0E	ic50 = 210 nM	OOS	C30 H36 N6 O2	CC(C)C[C@@....
545	2SRC	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
546	1Y57	ic50 = 1633 nM	MPZ	C28 H29 N7 O	CN1CCN(CC1....
547	6F3F	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
548	3BRB	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
549	5U6C	Ki < 0.05 nM	7YS	C21 H22 Cl F N6 O3	Cc1c-2c(n(....
550	7AB2	-	R6N	C28 H40 N6 O	CCCCNc1ncc....
551	7AAZ	-	R6K	C34 H41 N7 O2	Cn1cc(cn1)....
552	7AAY	-	L1X	C30 H22 F2 N6 O3	CC1=CC=C(C....
553	5TC0	ic50 = 25 nM	79Y	C18 H19 N5 O4 S2	CS(=O)(=O)....
554	5K0X	ic50 = 4.4 nM	K0X	C24 H34 F N7 O2	c1cc(ccc1C....
555	7AAX	-	R6H	C30 H26 F2 N4 O5	CCOc1cn(nc....
556	7AB1	-	C6F	C29 H44 N8 O3	CCc1c(nc(c....
557	2P0C	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
558	5AAA	Ki = 0.38 nM	VGH	C21 H22 Cl2 F N5 O	C[C@H](c1c....
559	4CLJ	Ki = 0.7 nM	5P8	C21 H19 F N6 O2	C[C@@H]1c2....
560	4CMO	Ki = 0.85 nM	YPW	C20 H20 F N5 O3	C[C@H](c1c....
561	5AA8	Ki = 8.6 nM	5P8	C21 H19 F N6 O2	C[C@@H]1c2....
562	3LCS	-	STU	C28 H26 N4 O3	C[C@@]12[C....
563	4CCU	-	AWF	C22 H23 F N6 O2 S	Cc1c(sc(n1....
564	5IUH	ic50 = 402 nM	34Y	C30 H36 N8 O3	Cc1cc(ccc1....
565	2XB7	Ki = 0.65 nM	GUI	C30 H40 Cl N7 O3 S	CC(C)S(=O)....
566	4CCB	-	OFG	C19 H18 F N7 O	Cc1c(c[nH]....
567	4CTC	-	J99	C23 H24 F N5 O2	C[C@@H]1c2....
568	4FOD	ic50 = 0.0012 uM	0UV	C33 H44 F N5 O3	CC(C)NC(=O....
569	4DCE	ic50 = 0.174 uM	0JF	C27 H33 N5 O4	Cc1ccc(cc1....
570	6E0R	ic50 = 20 nM	HKJ	C21 H21 F N6 O3 S	Cc1cc(n[nH....
571	5AAC	Ki = 1.3 nM	VGH	C21 H22 Cl2 F N5 O	C[C@H](c1c....
572	5IUI	-	45Q	C23 H28 N6 O	Cc1cc(ccc1....
573	5IMX	-	CZ4	C27 H38 Cl N7 O3 S	Cc1cc(c(cc....
574	4ANQ	ic50 = 605 nM	VGH	C21 H22 Cl2 F N5 O	C[C@H](c1c....
575	4Z55	ic50 = 13 nM	4LO	C30 H39 N7 O3 S	Cc1cc(c(cc....
576	5A9U	Ki = 0.08 nM	5P8	C21 H19 F N6 O2	C[C@@H]1c2....
577	4FOB	ic50 = 0.005 uM	0US	C30 H39 N5 O4 S	C=CCNS(=O)....
578	5FTQ	ic50 = 0.01 uM	U4W	C32 H36 F2 N6 O2	CN1CCN(CC1....
579	3AOX	Kd = 2.4 nM	EMH	C30 H34 N4 O2	CCc1cc2c(c....
580	4CD0	Ki = 0.2 nM	AWJ	C22 H25 F N6 O3 S	Cc1c(sc(n1....
581	5AA9	Ki = 6.4 nM	5P8	C21 H19 F N6 O2	C[C@@H]1c2....
582	3LCT	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
583	2XBA	Ki = 23.68 nM	571	C25 H27 N6 O3	CN1CCN(CC1....
584	5IUG	ic50 = 177 nM	729	C31 H38 N8 O3	Cc1cc(ccc1....
585	4MKC	-	4MK	C28 H36 Cl N5 O3 S	Cc1cc(c(cc....
586	4CTB	-	KVC	C23 H18 F N7 O2	C[C@@H]1c2....
587	5AAB	Ki = 0.88 nM	VGH	C21 H22 Cl2 F N5 O	C[C@H](c1c....
588	2XP2	-	VGH	C21 H22 Cl2 F N5 O	C[C@H](c1c....
589	6EBW	ic50 = 2.5 nM	J3Y	C23 H24 F N7 O2	Cc1cc(n[nH....
590	4CLI	Ki < 0.07 nM	5P8	C21 H19 F N6 O2	C[C@@H]1c2....
591	4CMT	Ki < 0.2 nM	GWH	C22 H22 F N5 O3 S	C[C@H](c1c....
592	4FOC	ic50 = 0.003 uM	0UU	C28 H34 N4 O3	COC(=O)C1C....
593	4CNH	Ki = 4 nM	3U9	C17 H18 F N5 O2	C[C@H](c1c....
594	4FNY	ic50 = 0.016 uM	I3K	C24 H18 Cl N3 O4	COc1cc2c(c....
595	5KZ0	Ki = 22 nM	6YL	C21 H24 F N5 O2	Cc1c(cn(n1....
596	6MX8	ic50 = 0.37 nM	6GY	C29 H39 Cl N7 O2 P	CN1CCN(CC1....
597	4CMU	Ki < 0.2 nM	IV7	C21 H22 F N5 O2	Cc1c-2c(n(....
598	5FTO	Ki = 6.2 nM	YMX	C31 H34 F2 N6 O2	CN1CCN(CC1....
599	1MP8	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
600	6GCW	ic50 = 4.7 nM	EUQ	C27 H31 Cl N10 O2	CCC(=O)NCC....
601	2JKK	ic50 = 6.24 nM	BI9	C23 H25 Cl N6 O3	CNC(=O)c1c....
602	6GCX	ic50 = 0.6 nM	EUW	C28 H29 Cl N8 O4	CCC(=O)NCC....
603	4K9Y	Kd = 0.111 uM	K9Y	C26 H27 N9 O	Cc1ccc(cc1....
604	4Q9S	ic50 = 156 uM	30G	C10 H9 N3 O2	c1ccc2c(c1....
605	4D5H	-	9RM	C11 H9 F3 N4 O	CC1=C(NC(=....
606	4D4V	-	KB8	C15 H16 F3 N3	Cc1ccc2c(c....
607	6I8Z	ic50 = 17 nM	H82	C28 H29 F3 N5 O4	C[NH+]1CCC....
608	4GU6	Kd = 44 nM	10N	C22 H20 N6 O2 S	CN(c1c(ccc....
609	4KAO	Kd = 0.77 uM	KAO	C26 H27 N5 O	Cc1ccc(cc1....
610	2JKM	ic50 = 17.76 nM	BII	C25 H32 Cl N7 O3 S	CC(C)NS(=O....
611	3BZ3	ic50 = 1.5 nM	YAM	C21 H20 F3 N7 O3 S	CN(c1c(ccc....
612	4GU9	Kd = 43 uM	4GU	C11 H8 F N5	c1ccc(c(c1....
613	4EBV	ic50 = 0.99 uM	0O7	C18 H17 N3 O2 S	CCc1ccc(cc....
614	2JKO	ic50 = 7.7 nM	BIJ	C25 H28 Cl N7 O2	CN1CCN(CC1....
615	4I4E	ic50 = 0.5 uM	1BQ	C24 H26 N4 O4 S	CN1c2ccc(c....
616	2J0L	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
617	4I4F	ic50 = 0.64 uM	1BR	C22 H26 N4 O2 S	CC(C)(C)c1....
618	4BRX	ic50 = 0.32 uM	KGW	C22 H25 N7 O3	CNC(=O)c1c....
619	4D4S	-	BI9	C23 H25 Cl N6 O3	CNC(=O)c1c....
620	4D58	-	BI9	C23 H25 Cl N6 O3	CNC(=O)c1c....
621	4C7T	ic50 = 0.4 uM	5RI	C20 H22 N6 O4	CNC(=O)c1c....
622	4E1Z	-	0MX	C24 H17 Cl N4 O4 S	c1cc(cc(c1....
623	4GFO	Ki = 0.24 uM	0X2	C12 H8 Cl2 N2 O2	c1cc(c(c(c....
624	4GJ3	Ki = 1.4 nM	0XP	C17 H11 Cl2 F N4 O2	c1cnc(cc1N....
625	4GII	Ki = 1.8 nM	0X6	C17 H12 Cl2 N4 O2	c1cnc(cc1N....
626	6AAM	-	9T6	C18 H22 N4 O2	c1c[nH]c2c....
627	6OVA	ic50 = 1.1 nM	N9G	C21 H22 N6 O2	CN(C)C(=O)....
628	3NYX	Ki = 32 nM	TZ1	C16 H9 Cl N4 O S3	c1cc(sc1)C....
629	6VNY	ic50 = 139 nM	R4S	C18 H22 F N7 O2	c1c(cn(n1)....
630	6VNS	ic50 = 29 nM	R5D	C19 H21 F N8 O2	c1c(cn(n1)....
631	4GVJ	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
632	6DBM	ic50 = 23 nM	G4J	C18 H21 F2 N7 O	Cn1cc(cn1)....
633	6VNX	ic50 = 29 nM	R4V	C18 H20 F3 N7 O	C[C@@H]1[C....
634	3NZ0	-	IZA	C18 H16 F N3 O	CC(C)(C)c1....
635	4GJ2	Ki = 2.5 nM	0XH	C16 H12 Cl2 F N3 O2	c1cc(c(c(c....
636	6VNV	ic50 = 67 nM	R4Y	C19 H21 F N8 O2	c1c(cn(n1)....
637	6DBK	ic50 = 23 nM	G5D	C21 H23 N7 O2	CCNC(=O)c1....
638	6X8F	ic50 = 10 nM	UWP	C20 H18 F3 N9	Cn1cc(cn1)....
639	3LXP	-	IZA	C18 H16 F N3 O	CC(C)(C)c1....
640	5WAL	Ki = 0.0017 uM	9ZS	C16 H12 Cl2 N4 O	c1cc(c(c(c....
641	4GIH	Ki = 0.0048 uM	0X5	C16 H13 Cl2 N3 O2	c1cc(c(c(c....
642	3C1X	ic50 = 0.045 uM	CKK	C27 H27 F2 N7 O3	c1cc(ccc1C....
643	3LXN	Ki = 4.4 nM	MI1	C16 H20 N6 O	C[C@@H]1CC....
644	6X8G	ic50 = 15 nM	UWM	C20 H17 N9	Cn1cc(cn1)....
645	4PY1	-	2YK	C17 H16 N6 O2 S	Cn1cc(cn1)....
646	4H1J	ic50 = 1200 nM	0YH	C26 H30 N6 O2	Cc1ccc(cc1....
647	3FZT	ic50 = 637 nM	4JZ	C24 H27 N7 O2	Cc1ccc(cc1....
648	3H3C	ic50 = 140 nM	P1E	C19 H25 F3 N6 O2 S	CNS(=O)(=O....
649	4H1M	ic50 = 78 nM	0YJ	C27 H32 N6 O2	Cc1ccc(cc1....
650	5TOB	ic50 = 13 nM	YAM	C21 H20 F3 N7 O3 S	CN(c1c(ccc....
651	5TO8	ic50 = 3.1 nM	7FM	C25 H26 F3 N7 O3 S	CS(=O)(=O)....
652	3FZP	-	AGS	C10 H16 N5 O12 P3 S	c1nc(c2c(n....
653	3FZS	ic50 = 1.5 uM	B96	C31 H37 N5 O3	Cc1ccc(cc1....
654	5FDP	ic50 = 309 nM	5WR	C28 H31 F3 N6 O	C[C@@H]1CN....
655	6FIO	ic50 = 0.03 uM	DJH	C25 H24 F3 N5 O3	Cc1cccc2c1....
656	6HP9	ic50 = 5.6 nM	GKB	C25 H21 F3 N6 O	Cc1cn(cn1)....
657	6FIN	-	DJQ	C27 H27 N7 O3	c1ccc(cc1)....
658	6FEW	ic50 = 1.41 uM	D6W	C24 H26 N6 O3	CNC(=O)CN1....
659	4CKR	ic50 = 105 nM	DI1	C30 H31 F3 N4 O3	CCN1CCN(CC....
660	4BKJ	Kd = 1.9 nM	STI	C29 H31 N7 O	Cc1ccc(cc1....
661	6FEX	ic50 = 0.029 uM	D6Z	C23 H20 Br F3 N6 O3	c1cc2c(c(c....
662	5BVN	-	4VD	C23 H20 F N5 O2	Cc1ccc(cc1....
663	6GWR	Kd = 7.9 nM	FEW	C31 H31 F3 N6 O	CC(C)c1ccc....
664	6FIL	ic50 = 1.41 uM	D6W	C24 H26 N6 O3	CNC(=O)CN1....
665	5BVK	-	4VC	C13 H12 Cl N3 O	c1ccc(c(c1....
666	5BVO	-	4VE	C24 H20 F N5 O2	Cc1ccc(cc1....
667	6FIQ	-	DJW	C27 H27 F3 N6 O4	COc1ccc2c(....
668	5BVW	-	1N1	C22 H26 Cl N7 O2 S	Cc1cccc(c1....
669	3ZOS	-	0LI	C29 H27 F3 N6 O	Cc1ccc(cc1....
670	3KRL	ic50 = 0.8 nM	KRL	C22 H27 N5 O2	CN1CCN(CC1....
671	3DPK	ic50 = 4.1 nM	8C5	C27 H34 N6 O3	CONC(=O)C1....
672	2I0Y	-	5CN	C19 H21 N3 O3	CC1CCN(CC1....
673	3BEA	ic50 = 0.007 uM	IXH	C29 H31 N7 O2	C[C@H]1CN(....
674	6T2W	ic50 = 0.00000001 M	M9T	C20 H25 N5 O3	Cc1cc(ccc1....
675	2I1M	-	5CN	C19 H21 N3 O3	CC1CCN(CC1....
676	3KRJ	ic50 = 1.1 nM	KRJ	C22 H25 N5 O	c1cc(c(cc1....
677	3LCD	ic50 = 40 nM	BDY	C27 H30 Cl2 N6 O	c1cc(c(c(c....
678	6IG8	-	A7O	C30 H34 N2 O6	COc1cc(ccc....
679	6NE7	-	AMP	C10 H14 N5 O7 P	c1nc(c2c(n....
680	2IVS	-	ACK	C10 H12 N5 O6 P	c1nc(c2c(n....
681	2X2L	ic50 = 5.3 uM	X2L	C16 H14 N2 O2	COc1ccc(cc....
682	6NJA	-	ADE	C5 H5 N5	c1[nH]c2c(....
683	6I83	ic50 = 0.025 uM	H72	C19 H16 N6 O	c1cc(cnc1)....
684	6FEK	-	ADN	C10 H13 N5 O4	c1nc(c2c(n....
685	2IVU	Ki = 375 nM	ZD6	C22 H24 Br F N4 O2	CN1CCC(CC1....
686	4CKJ	-	ADN	C10 H13 N5 O4	c1nc(c2c(n....
687	7JU5	-	Q4J	C27 H32 F N9 O2	Cc1cc(n[nH....
688	6VHG	ic50 = 5.5 uM	QX1	C26 H30 N6 O2	CN1CCC(CC1....
689	2X2M	ic50 = 0.17 uM	X2M	C15 H14 N2 O	Cc1cc([nH]....
690	6NEC	-	XIN	C31 H33 N5 O4	CN1CCN(CC1....
691	7JU6	-	Q6G	C29 H31 N7 O3	CC(C)(COc1....
692	6I82	ic50 = 0.019 uM	H6W	C18 H21 N5 O2	CN(C)CCCNc....
693	2IVV	-	PP1	C16 H19 N5	Cc1ccc(cc1....
694	4CKI	-	ADN	C10 H13 N5 O4	c1nc(c2c(n....
695	5HID	-	B1E	C27 H25 N5 O2	Cc1ccc(cc1....
696	6N0P	Kd = 1.3 nM	K81	C25 H25 F3 N4 O4	Cc1ccc(cc1....
697	2H8H	ic50 = 2.7 nM	H8H	C27 H32 Cl N5 O5	CN1CCN(CC1....
698	4Y93	-	746	C34 H37 N5 O4	Cc1c(cccc1....
699	3PJC	ic50 = 27 nM	PJC	C22 H16 F3 N5 O3	c1ccc2c(c1....
700	4HVH	ic50 = 19 nM	19R	C15 H20 N4 O2	C[C@H](C(C....
701	5LWM	Kd = 0.00134 uM	79T	C24 H24 N6 O2	CN(C)C(=O)....
702	4I6Q	ic50 = 0.03 uM	1DT	C18 H18 N4 O2	C[C@@H](C1....
703	3LXK	Ki = 0.2 nM	MI1	C16 H20 N6 O	C[C@@H]1CC....
704	3ZC6	ic50 = 0.6 nM	VFC	C22 H19 F N8 O2	C[C@H](C(=....
705	4HVD	ic50 = 1.4 nM	933	C16 H22 N4 O	C[C@@H](C(....
706	6GLB	ic50 = 129 nM	F48	C21 H21 N5 O	c1cc(oc1CC....
707	6HZV	ic50 = 59 nM	GYW	C20 H19 N7 O3	c1cc2ncc(n....
708	4HVI	ic50 = 68.9 nM	19S	C18 H23 N5 O2	C[C@H](C(=....
709	6DB3	ic50 = 56 nM	G54	C17 H15 N5	C[C@@]1(CC....
710	7C3N	ic50 = 0.013 uM	FHX	C16 H18 N6 O	C[C@H]1CN(....
711	3ZEP	ic50 = 0.022 uM	1NX	C23 H25 N5 O3	C[C@@H](C1....
712	4QT1	ic50 = 7 nM	3C9	C16 H24 N6 O3 S	CC(C)CS(=O....
713	5LWN	ic50 = 17 nM	79R	C25 H26 N6 O2	C[C@@H]1CC....
714	3LXL	-	IZA	C18 H16 F N3 O	CC(C)(C)c1....
715	6GL9	ic50 = 135 nM	F3W	C23 H21 N5	c1cc(cc(c1....
716	6NY4	ic50 ~ 3 nM	Z3A	C18 H20 N4 O3	C[C@H]([C@....
717	6GLA	ic50 = 27 nM	F4B	C21 H19 N5 O	c1cc(oc1/C....
718	4CSV	Ki = 910 nM	STI	C29 H31 N7 O	Cc1ccc(cc1....
719	4ASE	Ki = 0.01 nM	AV9	C22 H19 Cl N4 O5	CC1=C/C(=N....
720	4AGC	Ki = 0.02 nM	AXI	C22 H18 N4 O S	CNC(=O)c1c....
721	4ASD	Ki = 0.52 nM	BAX	C21 H16 Cl F3 N4 O3	CNC(=O)c1c....
722	4M14	-	QWS	C18 H19 N5 O3	CC(C)Oc1cc....
723	3QGW	Ki = 1.3 uM	L7A	C17 H13 N3 O2	c1ccc(cc1)....
724	3V8W	ic50 = 8.6 nM	0G2	C24 H23 N3 O S	CCC(CC)(c1....
725	4M15	-	QWS	C18 H19 N5 O3	CC(C)Oc1cc....
726	4M13	Kd = 0.2 uM	1E0	C18 H19 N5 O3	CCCOc1ccc2....
727	3QGY	Ki = 0.016 uM	L7O	C22 H24 N6 O2	CNc1nccc(n....
728	1SM2	Ki < 10 nM	STU	C28 H26 N4 O3	C[C@@]12[C....
729	3MJ1	Kd = 15 nM	614	C23 H31 N7 O2	Cc1cc([nH]....
730	3MIY	Kd = 21 nM	B49	C22 H27 F N4 O2	CCN(CC)CCN....
731	3V8T	ic50 = 0.3 nM	477	C19 H19 F2 N3 O S	CCC(CC)(c1....
732	3V5L	ic50 = 7 nM	0G1	C25 H25 N3 O2 S	CCC(CC)(c1....
733	4L7S	Ki = 15.8 nM	G7K	C24 H23 F3 N6 O2 S	COc1ccc2c(....
734	4RFM	Ki = 0.00009 uM	3P6	C25 H27 F2 N5 O3 S	C[C@@]12Cc....
735	4M12	Kd = 0.9 uM	1YZ	C17 H17 N5 O3	CCOc1ccc2c....
736	4QD6	Ki = 2.3 nM	30T	C26 H27 N5 O3 S	c1ccc(cc1)....
737	4PQN	Ki = 0.7 nM	2W6	C24 H32 N6 O	CC1(CCc2c(....
738	4M0Z	Kd = 6.4 uM	M0Z	C16 H15 N5 O3	COc1ccc2cc....
739	4KIO	ic50 = 0.5 uM	G5K	C22 H26 N8 O2 S	C=CC(=O)N1....
740	4MF1	Ki = 0.7 nM	29Y	C23 H23 N5 O S	CN(C)Cc1cc....
741	1SNU	-	STU	C28 H26 N4 O3	C[C@@]12[C....
742	3MJ2	ic50 = 15 nM	MJG	C32 H41 N5 O4 S2	Cc1cc(c(cc....
743	4M0Y	Kd = 0.35 uM	M0Y	C15 H13 N5 O2	c1ccc2c(c1....
744	1BYG	-	STU	C28 H26 N4 O3	C[C@@]12[C....
745	4U0I	ic50 < 11 nM	0LI	C29 H27 F3 N6 O	Cc1ccc(cc1....
746	1T46	-	STI	C29 H31 N7 O	Cc1ccc(cc1....
747	6KLA	-	DJX	C19 H23 N7 S	CCN1CCN(CC....
748	3G0E	Kd = 20 nM	B49	C22 H27 F N4 O2	CCN(CC)CCN....
749	4HVS	ic50 = 0.016 uM	647	C21 H17 F3 N4	c1cc2c(c[n....
750	6MOB	-	JWY	C24 H21 Cl F N5 O2	CCN1c2cc(n....
751	1JPA	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
752	6KZD	ic50 = 2.95 nM	DZ6	C36 H37 N7 O	Cc1c(cccc1....
753	4YMJ	ic50 = 0.1 uM	4EJ	C20 H15 N5	c1ccc(cc1)....
754	6KZC	ic50 = 11.46 nM	DZC	C28 H25 F3 N6 O	Cc1c(cccc1....
755	3PLS	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
756	3SXR	-	1N1	C22 H26 Cl N7 O2 S	Cc1cccc(c1....
757	3SXS	-	PP2	C15 H17 Cl N5	CC(C)(C)n1....
758	6GQJ	-	F82	C25 H27 N5 O5	CC(C)n1cc(....
759	6XVA	ic50 = 0.24 uM	O2K	C29 H30 N4 O5	CCC(=O)NCc....
760	6GQM	-	F8H	C24 H26 F N7 O3	CC(C)c1cn(....
761	6GQL	-	F8B	C23 H24 N6 O4	CC(C)c1cn(....
762	6GQK	-	F88	C23 H23 N5 O4	CCn1cc(cn1....
763	6FNM	-	1N1	C22 H26 Cl N7 O2 S	Cc1cccc(c1....
764	2VX1	ic50 = 0.22 uM	7X8	C18 H14 Cl N5 O3	c1cc(cc(c1....
765	6FNI	Kd = 6 nM	DXH	C26 H20 F3 N7 O	Cc1ccc(cc1....
766	2YN8	-	STU	C28 H26 N4 O3	C[C@@]12[C....
767	2VWV	ic50 = 16 uM	7X3	C19 H20 Cl N5 O4	COc1ccc(cc....
768	2VX0	ic50 = 0.58 uM	7X7	C21 H20 Cl N5 O3	c1cc(cc(c1....
769	2X9F	ic50 = 0.061 uM	X9F	C18 H16 N6 O2 S	CS(=O)(=O)....
770	2VWU	ic50 = 0.35 uM	7X1	C24 H27 Cl N4 O4	COc1cc2c(c....
771	2VWX	ic50 = 0.04 uM	7X4	C17 H14 Cl N5 O4 S	c1cc(cc(c1....
772	4BB4	-	32W	C23 H21 N5 O2	COCCNC(=O)....
773	2VWW	ic50 = 0.24 uM	7X2	C20 H19 Cl N4 O5	COc1cc(cc(....
774	6FNJ	Kd = 142 nM	DWT	C26 H20 F3 N7 O	Cc1ccc(cc1....
775	2XVD	ic50 = 0.002 uM	AS6	C26 H33 N5 O4 S	Cc1ccc(cc1....
776	2VWZ	ic50 = 0.794 uM	7X6	C18 H16 Cl N5 O4 S	CS(=O)(=O)....
777	2VWY	ic50 = 0.09 uM	7X5	C18 H15 Cl N4 O4 S	CS(=O)(=O)....
778	4AW5	ic50 = 765 nM	30K	C30 H31 N5 O2	CCN1CCC(CC....
779	3ZEW	-	STU	C28 H26 N4 O3	C[C@@]12[C....
780	6FNK	-	DXK	C11 H10 N6	Cn1c2c(cn1....
781	2OFU	ic50 = 0.0006 uM	1N9	C37 H46 N6 O7	Cc1cccc(c1....
782	2OF2	ic50 = 0.21 uM	547	C25 H26 N4 O	c1ccc(cc1)....
783	3BYS	ic50 = 0.5 nM	AM5	C31 H30 F3 N7 O2	Cc1ccc(cc1....
784	3B2W	ic50 = 0.6 nM	9NH	C31 H29 F4 N7 O3	Cc1ccc(cc1....
785	1QPJ	-	STU	C28 H26 N4 O3	C[C@@]12[C....
786	1QPE	ic50 = 20 nM	PP2	C15 H17 Cl N5	CC(C)(C)n1....
787	3BYU	ic50 = 0.8 nM	AM6	C32 H32 F3 N7 O2	Cc1ccc(cc1....
788	6PDJ	-	ODJ	C25 H22 N6 O3	Cc1cc(ccc1....
789	1QPD	-	STU	C28 H26 N4 O3	C[C@@]12[C....
790	3BYM	ic50 = 0.006 uM	AM0	C25 H23 N7 O3	COc1cc(cc(....
791	2ZM1	ic50 = 220 nM	KSF	C18 H13 Cl N4	c1ccc(cc1)....
792	1QPC	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
793	2OFV	ic50 = 0.2 nM	242	C23 H17 F3 N4 O	Cc1ccc(cc1....
794	3KXZ	ic50 = 0.035 uM	925	C28 H32 N6 O3	CC1(CC(CC(....
795	3MPM	ic50 = 30 nM	5LK	C23 H26 N6 O	CN1CCN(CC1....
796	3BYO	ic50 = 7 nM	AM9	C31 H30 N8 O	Cc1cccc(c1....
797	2OG8	ic50 = 0.5 nM	1N8	C30 H31 F3 N6 O2	CCN(CC)CC(....
798	4C3F	-	7KW	C19 H15 N5	c1ccc(cc1)....
799	5VO1	Ki = 0.007 uM	9FS	C20 H24 F3 N5 O	CC(C)n1c(c....
800	5CEQ	Ki = 0.042 uM	50F	C22 H28 N6 O	c1cnc(cc1C....
801	5CEP	Ki = 0.145 uM	50E	C17 H22 F3 N5	CC(C)n1c(c....
802	5CEO	Ki < 0.0005 uM	50D	C23 H26 F2 N6 O	c1cnc(cc1C....
803	4QRC	-	0LI	C29 H27 F3 N6 O	Cc1ccc(cc1....
804	6IUP	ic50 = 23.1 nM	AX0	C24 H20 N6 O3	Cc1ccc2c(c....
805	4TYJ	-	0LI	C29 H27 F3 N6 O	Cc1ccc(cc1....
806	4UXQ	Kd = 16 nM	0LI	C29 H27 F3 N6 O	Cc1ccc(cc1....
807	5JKG	ic50 < 6.4 nM	6LF	C21 H19 Cl2 N5 O2	C[C@H](c1c....
808	6JQR	-	C6F	C29 H44 N8 O3	CCc1c(nc(c....
809	4AT4	ic50 = 0.012 uM	T6E	C20 H13 F4 N5 O S	c1cc(ccc1c....
810	4AT3	ic50 = 0.004 uM	LTI	C16 H18 N4 O2 S2	c1ccc2c(c1....
811	4AT5	ic50 = 0.038 uM	MUJ	C20 H22 N4 O3	COc1ccc(cc....
812	4UXL	Ki < 0.025 nM	5P8	C21 H19 F N6 O2	C[C@@H]1c2....
813	3ZBF	Ki = 2.1 nM	VGH	C21 H22 Cl2 F N5 O	C[C@H](c1c....
814	2P4I	ic50 = 10 nM	MR9	C29 H27 F3 N6 O3	Cc1ccc(cc1....
815	6MWE	-	919	C30 H28 F N7 O3	CC(C)(C)c1....
816	4X3J	-	3WR	C21 H14 F4 N6 O2	c1cc(ccc1N....
817	2OO8	ic50 = 1 nM	RAJ	C29 H29 F3 N6 O	Cc1ccc(cc1....
818	5MJA	ic50 = 220 nM	7O3	C16 H12 Cl2 N4 O2	c1cc2c(cc1....
819	3QUP	ic50 = 0.476 uM	LUN	C25 H27 F N4 O	c1ccc2c(c1....
820	4FEQ	ic50 = 1.1 uM	0T8	C24 H33 N7 O2	c1cnccc1CC....
821	4FF8	ic50 = 0.4 uM	14S	C25 H34 N6 O3	COc1ccccc1....
822	4IBM	ic50 = 1.8 uM	IR1	C18 H10 N6 O	c1ccc(cc1)....
823	5HHW	-	60O	C26 H33 N5 O2	c1cc(cc(c1....
824	1I44	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
825	3EKK	ic50 = 2 nM	GS2	C27 H27 F N8 O3	CNC(=O)c1c....
826	4XLV	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
827	5E1S	Kd = 12 nM	5JA	C29 H37 N9 O	C[C@@H]1Cc....
828	3EKN	ic50 = 2 nM	GS3	C27 H31 F N8 O2	CC(C)N1CCN....
829	4K33	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
830	6PNX	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
831	6N33	-	622	C21 H19 F2 N5 O	Cc1cc2c(c[....
832	5ZJ6	-	VSE	C29 H34 N6 O	CN1CCN(CC1....
833	2HK5	ic50 = 46 nM	1BM	C24 H29 N7 O	CCN(CC)CCN....
834	6TU9	-	0LI	C29 H27 F3 N6 O	Cc1ccc(cc1....
835	2XYU	ic50 = 4.5 uM	Q9G	C17 H17 F N4	Cc1ccc(cc1....
836	2Y6O	ic50 = 25 nM	1N1	C22 H26 Cl N7 O2 S	Cc1cccc(c1....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: VGH; Similar ligands found: 3

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	VGH	1	1
2	VHS	1	1
3	1RU	0.575472	0.924242

Similar Ligands (3D)

Ligand no: 1; Ligand: VGH; Similar ligands found: 0

No:	Ligand	Similarity coefficient

Similar Binding Sites (Proteins are less than 50% similar to leader)

Pocket No.: 1; Query (leader) PDB : 4UXL; Ligand: 5P8; Similar sites found with APoc: 22

This union binding pocket(no: 1) in the query (biounit: 4uxl.bio1) has 21 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	3HMO	STU	19.5652
2	3HMO	STU	19.5652
3	4NM5	ADP	30.4348
4	2VN9	GVD	31.8937
5	2VN9	GVD	31.8937
6	1UNH	IXM	32.5342
7	2A19	ANP	35.2113
8	2V7O	DRN	37.7976
9	4CFU	2WC	39.2739
10	4CFU	2WC	39.2739
11	5WNL	STU	39.7516
12	5WNL	STU	39.7516
13	5EW9	5VC	40.5904
14	5TA6	79D	41.3043
15	4BCM	T7Z	41.5282
16	4BCN	T9N	41.6667
17	4BCN	T9N	41.6667
18	4WNP	3RJ	42.1603
19	4