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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4ASE	1.83 Å	EC: 2.7.10.1	CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAIN COMPLEX WITH TIVOZANIB (AV-951)	HOMO SAPIENS	TRANSFERASE ANGIOGENESIS SIGNALING PROTEIN PHOSPHORYLATIORECEPTOR INHIBITOR
Ref.:	MOLECULAR CONFORMATIONS, INTERACTIONS, AND PROPERTI ASSOCIATED WITH DRUG EFFICIENCY AND CLINICAL PERFOR AMONG VEGFR TK INHIBITORS. PROC.NATL.ACAD.SCI.USA V. 109 18281 2012

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
AV9	A:3169;	Valid;	none;	Ki = 0.01 nM		454.863	C22 H19 Cl N4 O5	CC1=C...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4ASE	1.83 Å	EC: 2.7.10.1	CRYSTAL STRUCTURE OF VEGFR2 (JUXTAMEMBRANE AND KINASE DOMAIN COMPLEX WITH TIVOZANIB (AV-951)	HOMO SAPIENS	TRANSFERASE ANGIOGENESIS SIGNALING PROTEIN PHOSPHORYLATIORECEPTOR INHIBITOR
Ref.:	MOLECULAR CONFORMATIONS, INTERACTIONS, AND PROPERTI ASSOCIATED WITH DRUG EFFICIENCY AND CLINICAL PERFOR AMONG VEGFR TK INHIBITORS. PROC.NATL.ACAD.SCI.USA V. 109 18281 2012

Members (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 39 families.
1	4ASE	Ki = 0.01 nM	AV9	C22 H19 Cl N4 O5	CC1=C/C(=N....
2	4AGC	Ki = 0.02 nM	AXI	C22 H18 N4 O S	CNC(=O)c1c....
3	4ASD	Ki = 0.52 nM	BAX	C21 H16 Cl F3 N4 O3	CNC(=O)c1c....

70% Homology Family (14)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 20 families.
1	2OH4	ic50 = 3.5 nM	GIG	C23 H17 F4 N5 O4	COC(=O)Nc1....
2	6XVJ	-	O35	C28 H30 N4 O4	Cc1cc(cc(c....
3	3CP9	-	C19	C24 H23 N5 O	CC1=C(C(=O....
4	6GQO	-	F82	C25 H27 N5 O5	CC(C)n1cc(....
5	4AG8	Ki = 1.1 nM	AXI	C22 H18 N4 O S	CNC(=O)c1c....
6	3CPC	-	C52	C21 H15 F3 N4 O	CC1=C(C(=O....
7	6GQQ	-	F8B	C23 H24 N6 O4	CC(C)c1cn(....
8	3CJG	-	KIM	C22 H24 N6 O3	Cc1c2ccc(c....
9	3VO3	ic50 = 1.4 nM	0KF	C22 H21 N7 O3	Cc1cc(n(n1....
10	3VNT	ic50 = 2.2 nM	0JA	C27 H19 Cl F N5 O3 S	c1cc(c(c(c....
11	2I0Y	-	5CN	C19 H21 N3 O3	CC1CCN(CC1....
12	4ASE	Ki = 0.01 nM	AV9	C22 H19 Cl N4 O5	CC1=C/C(=N....
13	6GQM	-	F8H	C24 H26 F N7 O3	CC(C)c1cn(....
14	6GQL	-	F8B	C23 H24 N6 O4	CC(C)c1cn(....

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: AV9; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	AV9	1	1

Similar Ligands (3D)

Ligand no: 1; Ligand: AV9; Similar ligands found: 4

No:	Ligand	Similarity coefficient
1	F88	0.9450
2	F82	0.9415
3	F8B	0.9306
4	LEV	0.8984

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

Pocket No.: 1; Query (leader) PDB : 4ASE; Ligand: AV9; Similar sites found with APoc: 6

This union binding pocket(no: 1) in the query (biounit: 4ase.bio1) has 29 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	2ZV2	609