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Showing PDB: 3M2W

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Receptor | Ligand | View in 3D

Family: 90% | 70% | 50% | site

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      Structure Biounit | Ligand Information

PDB           : .ZIP | .CSV

Family 90% : .ZIP | .CSV

Class         : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
3M2W	2.41 Å	EC: 2.7.11.1	CRYSTAL STRUCTURE OF MAPKAK KINASE 2 (MK2) COMPLEXED WITH A SPIROAZETIDINE-TETRACYCLIC ATP SITE INHIBITOR	HOMO SAPIENS	SMALL MOLECULE INHIBITOR SPIROAZETIDINE-TETRACYCLE ATP-SITINHIBITOR NOVARTIS COMPOUND NVP-BXS169 ATP-BINDING KINASNUCLEOTIDE-BINDING PHOSPHOPROTEIN SERINE/THREONINE-PROTEITRANSFERASE
Ref.:	IN VIVO AND IN VITRO SAR OF TETRACYCLIC MAPKAP-K2 ( INHIBITORS. PART II. BIOORG.MED.CHEM.LETT. V. 20 4719 2010

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
L8I	A:1;	Valid;	none;	ic50 < 0.003 uM		388.437	C23 H21 F N4 O	CN1CC...
MG	A:365;	Part of Protein;	none;	submit data		24.305	Mg	[Mg+2...

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90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
3M2W	2.41 Å	EC: 2.7.11.1	CRYSTAL STRUCTURE OF MAPKAK KINASE 2 (MK2) COMPLEXED WITH A SPIROAZETIDINE-TETRACYCLIC ATP SITE INHIBITOR	HOMO SAPIENS	SMALL MOLECULE INHIBITOR SPIROAZETIDINE-TETRACYCLE ATP-SITINHIBITOR NOVARTIS COMPOUND NVP-BXS169 ATP-BINDING KINASNUCLEOTIDE-BINDING PHOSPHOPROTEIN SERINE/THREONINE-PROTEITRANSFERASE
Ref.:	IN VIVO AND IN VITRO SAR OF TETRACYCLIC MAPKAP-K2 ( INHIBITORS. PART II. BIOORG.MED.CHEM.LETT. V. 20 4719 2010

Members (1)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 133 families.
1	3M2W	ic50 < 0.003 uM	L8I	C23 H21 F N4 O	CN1CC2(C1)....

70% Homology Family (4)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 101 families.
1	3FHR	-	P4O	C21 H16 N4 O	c1ccc2c(c1....
2	3R1N	-	05B	C22 H21 N5 O3	c1cc2c(cc1....
3	3SHE	-	I85	C24 H22 F3 N5 O2	c1cc(cc(c1....
4	3M2W	ic50 < 0.003 uM	L8I	C23 H21 F N4 O	CN1CC2(C1)....

50% Homology Family (663)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	3IGO	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
2	3NCG	-	BK1	C19 H19 N5	CC(C)n1c2c....
3	3MWU	-	BK3	C22 H24 N6	c1ccc2c(c1....
4	6NG0	Ki = 10 nM	B49	C22 H27 F N4 O2	CCN(CC)CCN....
5	2XF0	ic50 = 30 uM	4UB	C15 H11 N5	c1ccc(cc1)....
6	2YM6	ic50 = 0.88 uM	YM6	C14 H16 N6 O	c1cncc2c1c....
7	6FCK	ic50 = 0.031 uM	D4Z	C20 H22 N4 O	c1ccc(cc1)....
8	4QYG	ic50 = 0.0041 uM	3DW	C22 H21 N5 O2	CN1CCN(CC1....
9	3TKH	ic50 = 47 nM	07S	C23 H27 N7 O2 S	c1cc(cnc1)....
10	2XEZ	ic50 = 1.5 uM	XEZ	C12 H9 N7	c1c[nH]nc1....
11	2HXL	ic50 = 12 nM	422	C23 H24 N6	c1cc2c(cc1....
12	5OQ7	Ki = 0.322 uM	A0Q	C24 H26 N4 O2	CN1CCN(CC1....
13	5F4N	ic50 = 2.2 nM	5UY	C17 H19 N7 O3	COC(=O)c1c....
14	2E9N	ic50 = 6.2 nM	76A	C29 H27 N3 O3	c1cc(ccc1c....
15	2YM3	ic50 = 1.2 uM	YM3	C14 H19 N5 O3	CCOC(=O)c1....
16	2YDI	-	YDI	C16 H20 N4 O3 S	CN(C)CCOc1....
17	5OP5	Ki = 0.216 uM	3FE	C17 H15 N5 O	c1cc(cc(c1....
18	3NLB	ic50 = 35 nM	5BE	C21 H28 N6 O	Cc1c(c([nH....
19	3JVR	Ki = 1.89 uM	AGX	C16 H13 Cl2 N3 O2	C[C@@H](c1....
20	2WMX	ic50 = 0.86 uM	ZY6	C17 H19 N5 O	c1ccc(cc1)....
21	2C3J	Ki = 0.659 uM	DBQ	C11 H11 N5 O2	c1c[nH]c2c....
22	2YM7	ic50 = 0.13 uM	YM7	C15 H18 N8	c1c(ncnc1N....
23	2X8I	ic50 = 0.19 uM	X8I	C17 H13 N3 O2	CC1=CC2=NN....
24	2YDJ	ic50 = 0.005 uM	YDJ	C17 H19 F N4 O2 S	c1cc(cc(c1....
25	4QYE	ic50 = 1.2 uM	3DL	C17 H12 N2 O3	c1cc(cc(c1....
26	5OP7	-	A1K	C19 H21 Cl N6 O3	CNc1c2c(c[....
27	5OOP	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
28	5OPR	Ki = 2.56 uM	A3E	C21 H26 N6 O	CC(C)n1cc(....
29	2BRG	ic50 = 6.1 uM	DFY	C21 H19 N3 O2	CN(CCO)c1c....
30	5OQ5	Ki = 0.02 uM	4K4	C31 H38 N8 O3	CN1CCN(CC1....
31	2CGU	ic50 = 13.4 uM	3A3	C17 H13 N O7	c1cc-2c(cc....
32	2WMR	ic50 = 52 uM	ZYR	C10 H10 N2 O S	C1CCc2c(c3....
33	3PA5	ic50 = 2 nM	C73	C17 H19 Cl N4 O2 S	c1cc(ccc1c....
34	2WMV	ic50 = 9.2 uM	ZYV	C10 H14 N6 O	c1[nH]c2c(....
35	5OQ8	Ki = 1.41 uM	A0Q	C24 H26 N4 O2	CN1CCN(CC1....
36	2CGX	ic50 = 15.6 uM	3D3	C7 H8 N6 O S	c1nc(c2c(n....
37	4QYF	-	3DV	C17 H13 N3 O3	c1cc(cc(c1....
38	5OPS	Ki = 0.863 uM	A3Q	C14 H9 N3 O	c1cc(cc(c1....
39	3JVS	Kd = 0.29 uM	AGY	C22 H22 N4 O4	CC(C)(C)c1....
40	2WMW	ic50 = 0.39 uM	ZYW	C11 H14 Br N5 O	c1c2c(c(cn....
41	2BR1	Ki = 7.2 uM	PFP	C22 H21 N3 O4	COc1ccc(cc....
42	2C3L	Ki = 8.58 uM	IDZ	C14 H10 N4	c1ccc2c(c1....
43	5OP2	Ki = 0.24 uM	A0Q	C24 H26 N4 O2	CN1CCN(CC1....
44	2X8E	ic50 = 0.014 uM	X8E	C16 H12 N4 O	CC1=CC2=NN....
45	2X8D	ic50 = 0.8 uM	X8D	C11 H9 N3 O	CC1=CC2=NN....
46	2YEX	ic50 = 0.0001 uM	YEX	C15 H12 N4 O	CC1=CC2=NN....
47	2BRM	Ki = 1.3 uM	DFZ	C20 H18 N4 O	c1ccc(cc1)....
48	1NVQ	Ki = 5.6 nM	UCN	C28 H26 N4 O4	C[C@@]12[C....
49	5OOR	-	STU	C28 H26 N4 O3	C[C@@]12[C....
50	3PA4	ic50 = 3 nM	C72	C19 H19 Cl N4 O S	c1cc(ccc1c....
51	4RVK	ic50 = 13.5 nM	3XK	C19 H13 N5 O	CC(=O)Nc1c....
52	2HOG	ic50 = 0.3 nM	710	C24 H25 N7 O	c1cc2c(cc1....
53	6FC8	ic50 = 0.012 uM	D4Q	C19 H19 F N4 O S	c1cc(cc(c1....
54	5R98	-	SQG	C10 H7 F3 N2 O2	c1cc(ccc1N....
55	5RA8	-	2O6	C8 H5 F3 N2 O	c1cc2c(cc1....
56	5R9J	-	LXS	C15 H16 N2 O4	CCN1C(=O)C....
57	4EH2	-	IRG	C17 H16 N4	c1ccc(cc1)....
58	3HA8	-	5JZ	C36 H38 N8 O5	CCOc1nc(nc....
59	6Y7W	Kd = 57.8 uM	OFW	C26 H35 N5 O6 S	C[C@@]1(CN....
60	3HEG	Kd = 0.18 uM	BAX	C21 H16 Cl F3 N4 O3	CNC(=O)c1c....
61	2ZAZ	Ki = 0.4 uM	GK1	C20 H15 N3 O2 S	Cc1ccc(cc1....
62	5R9R	-	K3D	C9 H17 N3 O2	CCNC(=O)N1....
63	3HP5	-	I46	C14 H9 F2 N3	c1cc(ccc1c....
64	5ML5	ic50 = 10 nM	1VI	C26 H25 F N4 O3 S	COc1ccc(c(....
65	5R93	-	SOJ	C12 H12 N2	c1ccc(cc1)....
66	4DLI	Kd = 2.4 uM	IRG	C17 H16 N4	c1ccc(cc1)....
67	3P78	ic50 = 0.11 uM	P78	C24 H27 N3 O4 S2	CC(C)(C)c1....
68	5R9Y	-	SU7	C15 H18 N2 O	c1ccc(cc1)....
69	4EH9	-	IRG	C17 H16 N4	c1ccc(cc1)....
70	1YWR	ic50 = 32 nM	LI9	C27 H29 F N6 O	C[C@@H](c1....
71	3IW5	Kd = 0.839 uM	DF3	C28 H24 F3 N3 O4 S	c1ccc2c(c1....
72	5R9C	-	7ZC	C12 H16 N2 O	CN(C)Cc1c[....
73	3HV3	ic50 = 900 nM	R49	C30 H31 N7 O	Cc1cccc(c1....
74	6HWV	ic50 = 115 nM	GEW	C32 H28 F2 N6 O3	Cn1c(c(nc1....
75	5R8U	-	SLS	C10 H11 N O2	c1cc2c(cc1....
76	4A9Y	-	AQZ	C32 H37 N7 O4	Cc1ccc(cc1....
77	5R9Q	-	LVD	C8 H10 N2 O2	c1ccc(cc1)....
78	3GCU	-	R48	C29 H30 N8 O	Cc1ccc(cc1....
79	1OUY	ic50 = 4.3 nM	094	C24 H18 Cl2 F2 N4 O S	c1cc(c(c(c....
80	5R9L	-	SRJ	C18 H25 N O2	c1ccc(cc1)....
81	3D7Z	Ki = 12 nM	GK5	C22 H24 N2 O2	Cc1ccc(cc1....
82	2YIS	-	YIS	C35 H34 Cl N7 O3 S2	CC(C)(C)c1....
83	1OUK	ic50 = 0.13 nM	084	C28 H29 F3 N6	C[C@@H](c1....
84	6YCW	-	OL8	C15 H10 N2 O4	c1cc(cc(c1....
85	3BV2	ic50 = 0.44 nM	P38	C33 H32 N8 O3	Cc1ccc(cc1....
86	4R3C	-	GG5	C14 H10 F N3	c1cc(ccc1c....
87	4L8M	ic50 = 0.001 uM	F46	C33 H30 F N3 O5	c1ccc(cc1)....
88	4E6A	-	0O9	C32 H65 O10 P	CCCCCCCCCC....
89	1WBN	ic50 = 0.35 uM	L09	C20 H22 Cl N5 O2	CC(C)(C)c1....
90	6ZWR	ic50 = 21.7 nM	OEB	C34 H39 N7 O3	c1ccc(cc1)....
91	2QD9	ic50 = 13 nM	LGF	C27 H24 F2 N6 O5	COc1c(cc2c....
92	3HUC	Kd = 1030 nM	G97	C20 H16 N6 O	C=CC(=O)Nc....
93	3HL7	Ki = 0.023 uM	I47	C20 H20 Cl N5 O2	c1cc(ccc1c....
94	4EHV	-	IRG	C17 H16 N4	c1ccc(cc1)....
95	5R95	-	SQ4	C10 H8 N2 O2	c1cc(ccc1N....
96	2GTN	ic50 = 4 nM	LIE	C20 H16 F3 N5 O	CC(C)n1c2c....
97	3HRB	ic50 = 21 nM	I39	C19 H14 F2 N2 O2	Cc1ccccc1c....
98	3BX5	ic50 = 3.5 nM	304	C17 H22 N4 O2 S	CC[C@@H](C....
99	5R9V	-	SSY	C10 H8 F3 N O2	CC(=O)c1cc....
100	3HVC	ic50 = 600 nM	GG5	C14 H10 F N3	c1cc(ccc1c....
101	2GFS	ic50 = 0.7 uM	PQB	C19 H18 F N3 O4	c1cc(cc(c1....
102	5N63	-	8OW	C21 H17 F N4	c1ccc(cc1)....
103	2NPQ	Kd = 3.08 uM	BOG	C14 H28 O6	CCCCCCCCO[....
104	3IW6	Kd = 3.29 uM	PP0	C23 H31 N3 O3	CCn1c(c(c(....
105	3S4Q	ic50 = 4 nM	NK0	C25 H23 N5 O2	Cc1ccc(cc1....
106	2BAJ	Kd = 4 nM	1PP	C20 H20 Cl2 N4 O	CC(C)(C)c1....
107	3ROC	-	29B	C14 H10 F N3	c1cc(ccc1c....
108	5RA7	-	SW7	C8 H9 N O	Cc1ccc(cc1....
109	5R8Z	-	SN4	C7 H8 N2 O S	COc1ccc(cn....
110	5R9D	-	N9J	C8 H9 N O3	c1ccc(cc1)....
111	5R9P	-	SFY	C11 H11 N3 O2 S	c1ccnc(c1)....
112	3NWW	ic50 = 7 nM	3NW	C24 H34 N8 O S	CCNC(=O)NC....
113	1W83	ic50 = 0.065 uM	L11	C23 H25 Cl F N3 O3	c1cc(cnc1)....
114	3ZSH	-	469	C27 H30 Cl F N4 O3	C[C@@H]1C[....
115	3IPH	Ki = 0.0000251 mM	G11	C21 H23 N3 O2	Cc1ccc(cc1....
116	5MZ3	ic50 = 0.0002 uM	8EN	C24 H19 F3 N4 O2	Cc1ccc(cc1....
117	5R9W	-	STV	C10 H13 N O4 S	CCS(=O)(=O....
118	3P7B	ic50 = 0.018 uM	P7B	C25 H28 N4 O3 S	CC(C)(C)c1....
119	5RA1	-	PO6	C8 H9 N O2	c1ccc(cc1)....
120	3GCQ	Kd = 342 nM	1BU	C29 H30 N8 O	Cc1cccc(c1....
121	5RA5	-	SVJ	C8 H16 N2	CN1[C@@H]2....
122	5R9E	-	S7S	C7 H13 N5 O	CCCC(=O)Nc....
123	4F9Y	Ki = 184 nM	LM3	C21 H18 N4	CN(C)c1cc(....
124	5R92	-	SO7	C14 H18 N2 O4	CN(C(=O)[C....
125	2BAL	Kd = 490 nM	PQA	C21 H21 F N4 O2	c1cc(cc(c1....
126	3HUB	Kd = 8.2 nM	469	C27 H30 Cl F N4 O3	C[C@@H]1C[....
127	4F9W	Ki = 114 nM	LM4	C21 H18 N4	CN(C)c1cc(....
128	3P5K	ic50 = 0.076 uM	P5K	C24 H27 N3 O4 S2	CC(C)(C)c1....
129	2I0H	ic50 = 9 nM	222	C27 H19 Cl2 F N4 O3	c1ccc2c(c1....
130	5R9F	-	SQP	C13 H11 N O2	c1ccc(c(c1....
131	1ZYJ	ic50 = 1.5 uM	BI5	C19 H16 N2 O2	c1ccc(cc1)....
132	6Y7X	-	OFQ	C11 H19 N O	C1C2CC3CC1....
133	3K3I	-	JZJ	C18 H16 Br N3	c1ccc2c(c1....
134	1WBT	ic50 = 0.34 uM	WBT	C26 H25 F N4 O2	c1cc(cc2c1....
135	1BMK	-	SB5	C17 H16 F N5	c1cc(ccc1c....
136	3E92	Ki = 10 nM	G6A	C21 H21 N3 O2	Cc1ccc(cc1....
137	3P7A	ic50 = 0.52 uM	P7A	C23 H27 N3 O3 S2	CC(C)(C)c1....
138	6ANL	ic50 = 240 nM	T75	C24 H21 N3 O S	CCc1nc(c(s....
139	3NNX	ic50 = 11 nM	EDD	C22 H23 Cl2 N5 O2	CC(C)(C)C1....
140	4EH4	-	IRG	C17 H16 N4	c1ccc(cc1)....
141	1KV1	Kd = 1.16 uM	BMU	C15 H19 Cl N4 O	CC(C)(C)c1....
142	5R9U	-	JMM	C13 H16 N2 O3	c1cc(oc1)C....
143	3KF7	ic50 = 40 nM	L9G	C22 H18 F2 N4 O	Cc1ccc(cc1....
144	4KIN	ic50 = 4.8 nM	1M8	C22 H19 Cl N2 O2 S	Cc1ccc(cc1....
145	5R9N	-	JFS	C14 H12 N2 O	c1ccc2c(c1....
146	4AA4	ic50 = 9 nM	QC0	C25 H25 N5 O3	Cc1ccc(cc1....
147	5RA9	-	SWD	C6 H3 Cl N2 S	c1csc2c1nc....
148	5XYY	ic50 = 9.221 uM	P0F	C15 H12 Cl F N4 O	c1cc(cc(c1....
149	5R97	-	RUY	C7 H12 N4 O	C1CCN(CC1)....
150	3E93	Ki = 1.4 nM	19B	C30 H32 N4 O3	Cc1ccc(cc1....
151	5R9O	-	54F	C11 H10 N2 O	c1ccnc(c1)....
152	4AAC	ic50 = 6.7 nM	AAV	C24 H24 N6 O3	Cc1ccc(cc1....
153	4AA0	ic50 = 35 nM	AA0	C30 H33 N7 O3	Cc1ccc(cc1....
154	1OZ1	ic50 = 6.5 nM	FPH	C18 H12 F N3 O	c1cc2c(c(c....
155	5N64	-	8OH	C19 H16 N4 S	c1ccc(cc1)....
156	3IW8	Kd = 13.4 uM	HIZ	C19 H18 Cl F N4 O2 S	c1ccc(cc1)....
157	3LFN	ic50 = 3160 nM	A27	C23 H21 N3 O2	CCCC(=O)Nc....
158	3PY1	Kd = 37 uM	2AN	C16 H13 N O3 S	c1ccc(cc1)....
159	2A4L	ic50 = 0.4 uM	RRC	C19 H26 N6 O	CC[C@H](CO....
160	1Y8Y	ic50 = 2 uM	CT7	C13 H11 Cl N4 O2 S	CS(=O)(=O)....
161	6GUH	Kd = 26 nM	FB8	C18 H21 N5 O2 S	Cc1ncc(n1C....
162	1OIR	ic50 = 0.032 uM	HDY	C23 H26 N6 O2	Cc1c(n2ccc....
163	1PXJ	-	CK2	C9 H10 N4 S	Cc1c(sc(n1....
164	2VTO	ic50 = 0.14 uM	LZ8	C17 H13 F N4 O2	c1ccc(cc1)....
165	2BTR	ic50 = 95 nM	U73	C13 H15 N3 O S	CC(C)C1=CN....
166	6Q4K	-	HHW	C16 H12 Cl N O3	c1cc(cc(c1....
167	2VTA	ic50 = 185 uM	LZ1	C7 H6 N2	c1ccc2c(c1....
168	3EZR	-	EZR	C26 H27 N7 O	CN1CCN(CC1....
169	3ULI	ic50 = 0.07 uM	1N3	C21 H25 Br N6 O2	COc1ccc(cc....
170	2DS1	ic50 = 3.4 nM	1CD	C22 H21 N5 O3	C[C@@H]1C[....
171	5FP5	-	1Y6	C7 H5 F O2	c1cc(ccc1C....
172	2VTH	ic50 = 120 uM	LZ2	C10 H9 N O3 S	c1cc2c(ccc....
173	1KE5	ic50 = 560 nM	LS1	C16 H15 N3 O3 S	CNS(=O)(=O....
174	3FZ1	-	B98	C13 H15 N3 O2 S	COc1ccc2c(....
175	1WCC	ic50 = 350 uM	CIG	C4 H4 Cl N3	c1c(nc(cn1....
176	1PXO	Ki = 2 nM	CK7	C14 H12 N6 O2 S	Cc1c(sc(n1....
177	1H00	ic50 = 38 uM	FAP	C21 H23 F2 N5 O2	CN(C)C[C@@....
178	2R3R	-	6SC	C18 H14 Br N5	c1ccc(cc1)....
179	1B39	Kd = 0.12 uM	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
180	6Q4C	-	HH8	C8 H5 Br N2	c1cc2c(ccn....
181	3PXF	Kd = 37 uM	2AN	C16 H13 N O3 S	c1ccc(cc1)....
182	3TI1	-	B49	C22 H27 F N4 O2	CCN(CC)CCN....
183	2R3G	ic50 = 800 nM	SC9	C18 H14 F N5	c1ccc(c(c1....
184	2C69	ic50 = 26 uM	CT8	C17 H14 Br N6	c1cc(cc(c1....
185	2VTM	ic50 ~ 1 mM	LZM	C7 H4 N4	c1cnc2c(cn....
186	4ERW	-	STU	C28 H26 N4 O3	C[C@@]12[C....
187	1E1V	Ki = 12 uM	CMG	C12 H17 N5 O	c1[nH]c2c(....
188	2VV9	ic50 = 0.017 uM	IM9	C23 H29 N7 O2	Cc1ncc(n1C....
189	5IEV	-	R0N	C18 H23 F3 N4 O3 S	C[C@H]([C@....
190	6Q48	-	HHQ	C5 H4 I N O	C1C(=CC=NC....
191	4D1X	-	ESJ	C11 H8 N2 O3 S2	c1cc2c(cc1....
192	5MHQ	-	8QT	C19 H27 N7 O	CC[C@@H]([....
193	2BTS	ic50 = 20 nM	U32	C12 H15 N3 O2 S2	CC(C)c1cnc....
194	6Q4D	-	HHT	C9 H9 Br O3	COc1cc(ccc....
195	1URW	ic50 < 0.003 uM	I1P	C21 H24 N8 O2 S	CN(C)CCCNS....
196	5FP6	-	MFZ	C11 H7 Cl2 N O	c1cc(c2c(c....
197	1CKP	-	PVB	C20 H25 Cl N6 O3	CC(C)[C@H]....
198	1KE6	ic50 = 5.7 nM	LS2	C17 H15 N5 O3 S2	CNS(=O)(=O....
199	2C6K	ic50 = 0.73 uM	DT2	C17 H21 N7 O2 S	c1cc(ccc1N....
200	6Q4F	-	26D	C5 H7 N3	c1cc(nc(c1....
201	2R3Q	-	5SC	C19 H16 Br N5 O	Cc1ccccc1c....
202	1OIT	ic50 < 0.003 uM	HDT	C17 H14 N6 O2 S	c1ccn2c(c1....
203	3NS9	ic50 = 0.003 uM	NS9	C20 H27 N5 O3	CC(C)c1cnn....
204	6Q4I	-	HGK	C13 H11 N O4	c1cc(ccc1C....
205	1H01	ic50 = 22 uM	FAL	C21 H23 Cl2 N5 O2	CN(C)C[C@H....
206	2EXM	-	ZIP	C10 H13 N5	CC(=CCNc1c....
207	4BGH	ic50 = 4 nM	3I6	C13 H16 Br N5 O3 S	C[C@H](CO)....
208	2R3F	ic50 = 500 nM	SC8	C18 H13 Cl2 N5	c1cc(c(c(c....
209	1GII	-	1PU	C17 H16 N4 O2	c1ccnc(c1)....
210	6Q4B	-	HHN	C4 H3 Br N2	c1c(cncn1)....
211	2R64	ic50 = 0.03 uM	740	C23 H27 N5 O3 S	c1cc(ccc1C....
212	5A14	-	LQ5	C24 H26 F3 N7 O2	CN1CCN(CC1....
213	2C6L	ic50 = 0.27 uM	DT4	C17 H22 N8 O2 S	c1cc(ccc1N....
214	2W06	-	FRV	C18 H20 N6 O2 S	Cc1ncc(n1C....
215	4EZ7	-	STU	C28 H26 N4 O3	C[C@@]12[C....
216	6Q4J	-	HHB	C12 H11 N3 O2	c1cc(cc(c1....
217	5D1J	ic50 = 48 nM	56H	C17 H24 N4 O2 S2	CC(C)(C)c1....
218	5IEY	-	6AE	C14 H19 N5 O3 S	C[C@H]([C@....
219	2VTT	ic50 = 0.044 uM	LZD	C16 H17 F2 N5 O2	c1cc(c(c(c....
220	2VU3	ic50 = 0.047 uM	LZE	C16 H17 Cl2 N5 O2	c1cc(c(c(c....
221	2B54	-	D05	C20 H15 Cl3 N4 O3	CCc1c2c(n(....
222	1GZ8	-	MBP	C10 H13 N5 O2	CC(C)C(=O)....
223	3PY0	ic50 = 0.13 uM	SU9	C13 H11 N3 O2	COc1ccc2c(....
224	2VTR	ic50 = 1.5 uM	LZB	C10 H10 Cl N5	CC(C)Nc1cc....
225	1E1X	Ki = 1.3 uM	NW1	C11 H17 N5 O2	C1CCC(CC1)....
226	3UNJ	ic50 = 11 uM	0BX	C17 H14 N4 O2	c1ccc(cc1)....
227	2A0C	-	CK9	C19 H26 N6 O2	CC[C@H](CO....
228	3TIY	-	TIY	C11 H8 O5	c1c2c(c(c(....
229	2R3I	ic50 = 1000 nM	SCF	C18 H14 F N5	c1ccc(c(c1....
230	1VYZ	ic50 = 290 nM	N5B	C13 H13 N3 O	c1ccc(cc1)....
231	3WBL	ic50 = 23 uM	PDY	C20 H26 N6 O	CCOc1ccc(c....
232	4RJ3	ic50 = 93 nM	3QS	C22 H28 N6 O	COC1CCN(CC....
233	2VTN	ic50 = 0.85 uM	LZ7	C12 H11 F N4 O2	CC(=O)Nc1c....
234	1AQ1	-	STU	C28 H26 N4 O3	C[C@@]12[C....
235	2C6M	ic50 = 0.35 uM	DT5	C17 H20 N6 O3 S	c1cc(ccc1N....
236	2R3L	ic50 = 100 nM	SCW	C18 H14 Br N5	c1ccc(cc1)....
237	6Q4A	-	HGW	C4 H3 I N2	c1c(cncn1)....
238	1H08	-	BYP BWP	n/a	n/a
239	1B38	Kd = 0.254 uM	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
240	2B52	ic50 = 8 nM	D42	C21 H23 N7 O2 S	Cc1c(sc(n1....
241	1PXL	-	CK4	C16 H13 F3 N4 S	Cc1c(sc(n1....
242	3S2P	ic50 = 0.068 uM	PMU	C17 H22 N4 O3	CC(C)c1cc(....
243	2R3O	ic50 = 600 nM	2SC	C19 H17 N5 O	c1ccc(cc1)....
244	3IGG	ic50 = 95 nM	EFQ	C16 H19 N3 O3	COc1ccc(cc....
245	1R78	ic50 = 3 nM	FMD	C20 H20 F N3 O4	C[C@H]([C@....
246	2FVD	Ki = 0.003 uM	LIA	C18 H21 F2 N5 O4 S	COc1ccc(c(....
247	2VTL	ic50 = 97 uM	LZ5	C10 H9 N3 O	c1ccc(cc1)....
248	1KE9	ic50 = 660 nM	LS5	C16 H15 N5 O3 S	c1ccc2c(c1....
249	6Q3B	-	PYZ	C3 H3 I N2	c1c(cn[nH]....
250	1PYE	Ki = 386 nM	PM1	C21 H13 F2 N3 O2	c1ccc(cc1)....
251	6Q49	-	HGQ	C5 H4 Br N O	C1=CNC(=O)....
252	4EZ3	-	0S0	C11 H10 N4 O4 S	c1cc(ccc1/....
253	1H07	ic50 = 3 uM	MFP	C24 H27 Br N6 O2	Cc1ccc(c(c....
254	2B53	ic50 = 0.6 uM	D23	C19 H19 F3 N4	CC(C)(C)Nc....
255	6GUK	Kd = 715 nM	FC8	C19 H24 Cl N7	CCn1cnc2c1....
256	2DUV	ic50 = 0.087 uM	371	C19 H17 N O7 S	Cc1cc2c(c(....
257	4D1Z	-	WG8	C13 H10 N2 O3 S	c1cc2ccc(n....
258	6Q4E	Kd = 350 uM	HH5	C5 H4 I N5	c1[nH]c2c(....
259	4ACM	Ki = 210 nM	7YG	C20 H23 N7 O3 S	CN(C)CCNS(....
260	2C5Y	ic50 = 0.25 uM	MTW	C19 H15 N7 O2	c1cc(cc(c1....
261	6Q4G	Kd = 50 uM	HJK	C13 H11 N5 O2	c1cc(cc(c1....
262	2R3K	ic50 = 100 nM	SCQ	C18 H14 Br N5	c1ccc(cc1)....
263	2V0D	-	C53	C9 H7 N3 O S	[H]/N=C1/N....
264	2W1H	ic50 = 0.052 uM	L0F	C17 H13 N5 O	c1ccc(cc1)....
265	1Y91	ic50 = 0.059 uM	CT9	C23 H33 N7 O2 S	CC(C)c1cnn....
266	4FII	-	ARG PRO LYS PRO LEU VAL ASP PRO	n/a	n/a
267	4NJD	ic50 = 0.79 uM	NJD	C21 H20 N8 O	COc1nc(nc(....
268	4JDK	-	ARG ARG ARG ARG SER TRP TYR	n/a	n/a
269	5XVG	Ki = 0.009 uM	8FX	C20 H22 Cl N7 O	C[C@@H]1CN....
270	5VED	-	STU	C28 H26 N4 O3	C[C@@]12[C....
271	2X4Z	Kd = 2.7 nM	7KC	C25 H30 N8 O S	Cc1nc2ccsc....
272	5XVA	Ki = 0.051 uM	8FU	C18 H20 Cl N7 O	Cc1cc(n[nH....
273	2CDZ	-	23D	C19 H24 Cl N7	CCn1cnc2c1....
274	4JDI	-	ARG ARG ARG ARG SER TRP TYR	n/a	n/a
275	6WLX	-	LYS LYS ARG LEU SER VAL GLU	n/a	n/a
276	2ZV2	-	609	C19 H10 N2 O3	c1ccc2c(c1....
277	4ONA	ic50 = 0.002 uM	UW1	C19 H23 N5 O2	CCOc1ccc2c....
278	4JBV	ic50 = 0.003 uM	V68	C26 H32 N6 O	CC(C)COc1c....
279	3NYV	-	DTQ	C16 H15 N3 O3	COc1cc2c(c....
280	3T3U	Ki = 0.0025 uM	BK6	C22 H24 N6 O	COc1ccc2cc....
281	3KU2	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
282	4M84	ic50 = 0.049 uM	21E	C17 H19 N5 O	CC(C)(C)n1....
283	3HX4	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
284	3UPX	Ki = 0.0075 uM	B6A	C20 H22 N4 O	c1ccc(cc1)....
285	3SXF	Ki = 0.0025 uM	BK5	C20 H21 N5 O	CCOc1ccc2c....
286	3T3V	Ki = 0.003 uM	BK4	C19 H19 N5 O	CC(C)n1c2c....
287	3I7B	ic50 = 0.066 uM	BK1	C19 H19 N5	CC(C)n1c2c....
288	3V5P	Ki = 0.0011 uM	C88	C19 H24 N6 O	Cc1cc(ccc1....
289	3V51	-	I76	C25 H22 Cl N5 O	CC(C)n1c2c....
290	3UPZ	-	B5A	C11 H16 N6	c1c2c(ncnc....
291	3I7C	ic50 = 0.018 uM	BK2	C19 H19 N5	CC(C)(C)n1....
292	3V5T	-	UW9	C24 H30 N6 O	CCOc1ccc2c....
293	3N51	-	BK3	C22 H24 N6	c1ccc2c(c1....
294	6HME	-	FXB	C21 H21 N O3	CC(C)n1c2c....
295	6HOP	-	FER	C10 H10 O4	COc1cc(ccc....
296	5OTO	-	AQW	C24 H23 Cl2 N3	CCc1ccccc1....
297	3AT4	Kd = 2.26 nM	CCK	C20 H20 N6 O2	CC(C)Nc1cc....
298	3OWJ	Ki = 0.86 uM	1EL	C17 H14 N2 O2	Cc1c2c(c(c....
299	6RFF	ic50 = 0.37 uM	K1B	C12 H6 Br N5 O4 S	c1cc(c(cc1....
300	6EII	-	B5W	C22 H23 Cl N	c1ccc(cc1)....
301	5CU0	-	54R	C18 H21 Cl N2 O	CC(=O)NCCC....
302	5H8E	Kd = 6.33 pM	5Y3	C21 H25 N9 O	CC(=O)Nc1c....
303	5OWH	-	B0K	C10 H9 Br4 N3	c1nc2c(n1C....
304	6L1Z	-	E3U	C16 H12 O6	c1cc(c(c2c....
305	3WAR	-	NIO	C6 H5 N O2	c1cc(cnc1)....
306	5MOE	Kd = 520 uM	OQC	C11 H10 Cl N O	c1cc(c(cc1....
307	5OUE	-	AVZ	C18 H19 Cl N3	c1ccc(cc1)....
308	5MOD	Kd = 300 uM	86L	C10 H14 Cl N O	CC(C)Oc1cc....
309	6RB1	ic50 = 1.37 uM	JWQ	C14 H9 F3 N4 O3 S	COc1cc(ccc....
310	6TEI	-	N4N	C15 H11 N3 O2 S	c1ccnc(c1)....
311	5OWL	-	B0K	C10 H9 Br4 N3	c1nc2c(n1C....
312	6HBN	-	FXB	C21 H21 N O3	CC(C)n1c2c....
313	5CU3	Kd = 0.32 uM	54S	C26 H26 Cl N3 O4	c1ccc(cc1)....
314	5OTR	-	AU8	C13 H12 Cl2 N	c1ccc(cc1)....
315	4KWP	Ki = 0.04 uM	EXX	C12 H10 Br4 N2 O3	c1nc2c(n1[....
316	5OSL	-	A9K	C13 H12 Cl N O	c1ccc(c(c1....
317	5N9N	Ki = 0.41 nM	KC5	C20 H15 Cl2 N O4	COc1ccc(cc....
318	5CSP	Kd = 58 uM	54G	C8 H8 O3	Cc1ccc(c(c....
319	5CTP	-	54R	C18 H21 Cl N2 O	CC(=O)NCCC....
320	5MOW	-	BR9	C5 H6 Br N3	c1c(cnc(c1....
321	4UB7	Ki = 2.5 nM	3G5	C16 H8 Br2 O5	c1cc(ccc1C....
322	5MMF	-	JMB	C16 H19 Cl N	CCC[NH2+]C....
323	5OTH	-	AQ8	C25 H26 Cl N3 O	CCc1ccccc1....
324	1PJK	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
325	6YPK	-	GDP	C10 H15 N5 O11 P2	c1nc2c(n1[....
326	3NSZ	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
327	5OTI	-	AOK	C25 H26 Cl N3	CCc1ccccc1....
328	3AXW	-	TID	C9 H7 N3 O2 S	c1cc(ccc1c....
329	5MO6	-	KXZ	C19 H21 Cl N2 O3	c1ccc(cc1)....
330	2PVR	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
331	3C13	-	EMO	C15 H10 O5	Cc1cc2c(c(....
332	5CS6	Kd = 630 uM	K82	C10 H14 Cl N O	CCCOc1ccc(....
333	6YPH	-	N5Q	C20 H14 N2 O3 S	c1ccc2cc(c....
334	3PE2	Ki = 0.175 nM	E1B	C20 H12 N4 O2	C#Cc1cccc(....
335	5CT0	-	54P	C16 H18 Cl N O	c1ccc(cc1)....
336	6RCM	ic50 = 0.36 uM	K0N	C17 H18 N4 O3 S	CC(C)(C)c1....
337	5CU6	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
338	5M4C	-	7EY	C16 H14 N2 O2 S2	Cc1ccc(cc1....
339	6SPX	ic50 = 44 uM	DAS ASP ASP ASP ASP ASP LYS 9AB	n/a	n/a
340	5MO7	-	YRA	C16 H17 Cl N2 O	c1ccc(cc1)....
341	5N9L	Ki = 15 nM	8QH	C20 H15 Cl2 N O3	Cc1ccc(cc1....
342	5OT5	-	AWK	C25 H26 Cl N3	CCc1ccccc1....
343	3OWK	ic50 = 1.5 uM	18E	C16 H11 Cl N2 O	Cc1cnc(c2c....
344	5MMR	-	H83	C17 H21 Cl N2	c1ccc(cc1)....
345	5MPJ	-	J2P	C15 H17 Cl N	CC[NH2+]Cc....
346	5OQU	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
347	6GIH	-	EZN	C15 H13 Cl N2	c1cc(c2cc[....
348	6RFE	ic50 = 0.28 uM	K0Z	C13 H9 Br N4 O3 S	COc1cc(ccc....
349	6YPG	-	N5Q	C20 H14 N2 O3 S	c1ccc2cc(c....
350	5CSV	-	GAB	C7 H7 N O2	c1cc(cc(c1....
351	5MOT	-	HBD	C7 H7 N O2	c1cc(ccc1C....
352	3R0T	ic50 = 0.91 nM	FU9	C22 H16 F3 N5 O2	c1cc(cc(c1....
353	3PE1	Ki = 0.223 nM	3NG	C19 H12 Cl N3 O2	c1cc(cc(c1....
354	3JUH	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
355	5CLP	-	42J	C8 H9 Cl2 N	c1cc(c(cc1....
356	5ORH	Kd = 41 uM	A4N	C14 H14 Cl N	Cc1ccccc1c....
357	3H30	Ki = 29.2 uM	RFZ	C12 H12 Cl2 N2 O4	c1c2c(cc(c....
358	2ZJW	Ki = 0.02 uM	REF	C14 H6 O8	c1c2c-3c(c....
359	6HOU	-	V55	C8 H8 O3	COc1cc(ccc....
360	7A4C	ic50 = 3.82 uM	QWW	C5 H Br3 N4	c12c(c(c(n....
361	6YPN	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
362	5OSZ	-	AHK	C24 H25 Cl N3	CCc1ccccc1....
363	4GRB	ic50 = 17 nM	0XG	C19 H18 N4 O4 S	CN(C)C(=O)....
364	5OT6	-	AJK	C19 H20 Cl N2	c1ccc(cc1)....
365	6EHK	-	AUW	C24 H23 Cl2 N3	CCc1ccccc1....
366	6L24	-	E3U	C16 H12 O6	c1cc(c(c2c....
367	3MB7	ic50 = 200 nM	14I	C16 H8 O6	c1cc2c(cc(....
368	5OS8	-	J27	C14 H14 Cl F N	Cc1cc(ccc1....
369	5OTY	-	AUW	C24 H23 Cl2 N3	CCc1ccccc1....
370	5OTD	-	AOW	C24 H24 Cl N4 O2	CCc1ccccc1....
371	6GMD	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
372	5CVF	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
373	6HNY	-	GHT	C19 H19 N O4	CN1CCc2cc(....
374	5CX9	-	551	C20 H23 Cl N2 O3	COC(=O)CC(....
375	5OUL	-	AWE	C13 H11 Cl F N	c1cc(cc(c1....
376	4XP0	-	42A	C8 H5 N3	c1cc2c(c[n....
377	4QP2	Kd = 940 uM	36R	C7 H5 Cl N2 O	c1cc2c(cc1....
378	5NHF	ic50 < 0.00032 uM	8X5	C23 H25 N5 O2	c1ccc(cc1)....
379	5BUJ	ic50 = 0.005 uM	4VB	C16 H15 N5 O	c1cnccc1c2....
380	6G9J	ic50 = 4.1 nM	ERK	C27 H28 Cl N5 O3	C[C@H](c1c....
381	5BUI	ic50 = 0.089 uM	4V9	C17 H15 F N4	c1ccnc(c1)....
382	4QP7	ic50 = 5.9 uM	363	C9 H7 N5	c1c[nH]c2c....
383	3ERK	ic50 = 18 uM	SB4	C18 H19 F N6	c1cc(ccc1c....
384	6GDQ	-	EVK	C21 H22 Cl2 N4 O2	CC(C)Nc1cc....
385	5V60	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
386	6QA1	-	HVK	C5 H6 N2	c1ccnc(c1)....
387	1TVO	Ki = 0.14 uM	FRZ	C18 H13 N7	c1ccc(cc1)....
388	6G9A	ic50 = 21 nM	ESQ	C23 H28 Cl N5 O3	c1cc2c(cc1....
389	5BVD	ic50 = 0.16 nM	4VF	C24 H26 Cl N5 O3	c1cc(cc(c1....
390	4ZZN	ic50 = 0.26 uM	CQ8	C18 H21 Cl N4 O2	CNC(=O)c1c....
391	3SA0	-	NRA	C13 H8 O6	c1c(cc2c(c....
392	4ERK	ic50 = 27 uM	OLO	C15 H18 N6 O	Cn1cnc2c1n....
393	6GJD	ic50 = 0.022 uM	F0E	C46 H55 N11 O5	c1cnc(nc1)....
394	5U6I	-	81Y	C19 H22 N4 O2	CC(C)Oc1cc....
395	5NHV	ic50 = 0.0028 uM	8QB	C16 H19 N5 O2	c1cnc(nc1c....
396	6QAL	-	HV2	C3 H6 O3 S	C1C(CS1(=O....
397	3I5Z	Ki = 2 nM	Z48	C24 H23 N5 O2	Cc1cnc(nc1....
398	6QA4	-	HRZ	C5 H5 N O	C1=CC(=O)N....
399	4N0S	-	DHC	C9 H8 O4	c1cc(c(cc1....
400	5NHP	ic50 = 0.023 uM	8XK	C19 H23 N7 O2	Cn1c(ccn1)....
401	3I60	Ki < 2 nM	E86	C24 H22 Cl N5 O2	Cc1cnc(nc1....
402	4XP2	-	TT4	C8 H9 N5	c1ccc(cc1)....
403	1PME	Ki = 0.76 nM	SB2	C21 H16 F N3 O S	C[S@](=O)c....
404	6Q7T	-	HOW	C3 H4 N2 O	c1conc1N
405	5NHL	ic50 < 0.0003 uM	8XB	C20 H25 N7 O2	Cc1cnc(nc1....
406	5HD4	-	38Z	C33 H33 N9 O2	c1cnc(nc1)....
407	6G97	ic50 = 4.2 nM	EQZ	C20 H23 Cl N4 O3	COCCN1Cc2c....
408	6G92	ic50 = 76000 nM	ERZ	C10 H13 N5	Cc1cnc(nc1....
409	5K4I	ic50 = 3.1 nM	6QB	C21 H18 Cl F N6 O2	Cn1c(ccn1)....
410	3SHE	-	I85	C24 H22 F3 N5 O2	c1cc(cc(c1....
411	1JNK	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
412	5IZJ	-	6J9	C10 H13 N5	c1c[nH]c2c....
413	3AG9	Ki = 9 nM	A02	C40 H70 N18 O9	[H]/N=C(N)....
414	5IZF	Kd = 0.18 nM	6J9 AZ1 DAR ACA DAR NH2	n/a	n/a
415	6YPS	-	P72	C7 H8 N2 O	[H]/N=C(c1....
416	6Z44	-	IPH	C6 H6 O	c1ccc(cc1)....
417	6SPU	-	GAB	C7 H7 N O2	c1cc(cc(c1....
418	3DA6	-	BZ9	C28 H23 N7 O	Cc1cc(c2cc....
419	2R9S	ic50 = 0.15 uM	255	C24 H24 N4 O2 S	CC(C)(C)NS....
420	4Y5H	ic50 = 15 nM	519	C20 H30 N6 O2	CC(C)NC(=O....
421	4X21	Kd = 36 nM	3WH	C20 H23 I N6 O	CCNC(=O)N1....
422	3RTP	ic50 = 7 nM	34I	C18 H14 N6 O2 S	c1ccc2c(c1....
423	3PZE	-	CFK	C12 H11 N3 O2 S	c1ccc(cc1)....
424	4Z9L	ic50 = 1.6 nM	880	C27 H34 Cl2 N6	CCCn1c(c(n....
425	4WHZ	ic50 < 1 nM	3NL	C24 H23 Cl N8 O2	c1ccc(c(c1....
426	4W4Y	ic50 = 3034 nM	3HQ	C24 H22 N6 O2	Cc1ccc(cc1....
427	4W4W	ic50 = 6630 nM	3HJ	C23 H20 N6 O2	Cc1cc(ccn1....
428	3G90	Ki = 0.44 uM	J72	C17 H12 F2 N2 O4	c1cc2c(cc1....
429	1PMV	ic50 = 150 nM	537	C14 H8 N2 O	c1ccc2c(c1....
430	2VZ6	-	FEF	C20 H19 N3 O4	c1ccc2c(c1....
431	2Z7R	ic50 ~ 0.4 nM	STU	C28 H26 N4 O3	C[C@@]12[C....
432	4J8M	ic50 = 48 nM	CJ5	C26 H25 F3 N8 O	c1cc(cc(c1....
433	5ORO	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
434	6HJJ	ic50 = 1.7 uM	G7T	C26 H24 F4 N6 O2	Cc1cc(ccc1....
435	5ORS	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
436	5ORL	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
437	5DR9	-	5E2	C16 H9 Br Cl N O2	c1cc(cc(c1....
438	4DEA	ic50 = 256 nM	NHI	C18 H14 N4 O4	c1cc(ccc1C....
439	5DN3	Kd = 3.77 uM	5DN	C16 H9 Br F N O2	c1cc(cc(c1....
440	6C2T	-	EGJ	C27 H26 Cl F N4 O2 S	C[C@H]1C[C....
441	5ORP	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
442	4DEE	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
443	5OSE	Kd = 681 uM	A98	C6 H9 N3 O2 S2	CCSc1nnc(s....
444	6R4B	-	JSN	C14 H15 F2 N3 O2	CC1=NC(=O)....
445	5DNR	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
446	6VPJ	-	GLC GLC	n/a	n/a
447	6VPL	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
448	3UOD	Kd = 49 nM	0C3	C18 H13 F3 N4 O2	c1ccc(c(c1....
449	3EFW	-	AK8	C25 H21 F3 N6 O2	Cc1cc(ccc1....
450	5DT0	-	SKE	C15 H12 F2 N6 O3 S	c1cc(c(c(c....
451	3UO4	Kd = 299 nM	0C0	C23 H18 N4 O2	c1ccc(cc1)....
452	3UP2	Kd = 40 nM	0C8	C18 H13 F3 N4 O3	c1ccc(c(c1....
453	5ORX	ic50 = 308 uM	A6H	C11 H8 Cl2 N2 O	c1cc(c(c(c....
454	6VPI	-	MLA	C3 H4 O4	C(C(=O)O)C....
455	5ORN	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
456	5OS5	Kd = 410 uM	A8K	C12 H10 O2 S	c1cc(ccc1O....
457	5DR2	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
458	3DJ5	-	AK5	C21 H20 Br N5 O3 S	COc1ccc(cc....
459	6R4D	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
460	3UOL	ic50 = 3.1 nM	0C7	C17 H13 Cl N8	c1ccc(c(c1....
461	3D14	ic50 = 22 nM	AK1	C19 H15 F3 N6 O S2	c1cc(cc(c1....
462	5OSD	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
463	5OS2	Kd = 1821 uM	A7K	C13 H21 N2 O	c1ccc(c(c1....
464	4BN1	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
465	2NP8	ic50 = 42 nM	CC3	C21 H18 F3 N5 O	c1cc(cc(c1....
466	5ORR	Kd = 170 uM	A5Q	C9 H6 F3 N3 S	c1cc(ccc1c....
467	4JBQ	-	VX6	C23 H28 N8 O S	Cc1cc([nH]....
468	5OS3	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
469	5DRD	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
470	5DPV	-	SKE	C15 H12 F2 N6 O3 S	c1cc(c(c(c....
471	5ORZ	Kd = 432 uM	A6W	C10 H9 N O2 S2	COC(=O)c1c....
472	4UYN	ic50 = 4 nM	Y3M	C25 H22 N4 O4 S	CCOC(=O)c1....
473	5DT3	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
474	2WTV	Ki = 1.8 nM	ZZL	C25 H15 Cl F2 N4 O2	c1cc(c(c(c....
475	6HJK	ic50 = 25 nM	G7W	C25 H20 F4 N6 O2	CC(C)n1c2c....
476	3O50	-	LJE	C24 H17 F3 N4 O2	Cc1cc(ccc1....
477	2J4Z	ic50 = 65 nM	626	C23 H24 N6 O2 S	CN1CCN(CC1....
478	3LAU	ic50 = 0.044 uM	OFI	C17 H17 N3 O2	CCCC(=O)Nc....
479	3DAJ	ic50 = 2.9 uM	FXG	C22 H29 N7 O2	CCCCNC(=O)....
480	4JBO	ic50 = 24 nM	WPH	C31 H32 N6 O3	CN(C)CCOc1....
481	5ORW	Kd = 796 uM	A6E	C13 H16 F N O2 S	c1cc(ccc1O....
482	2C6D	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
483	5OS0	Kd = 2792 uM	A6Z	C12 H15 Cl N3	c1cc(cc(c1....
484	3K5U	ic50 = 309 nM	PFQ	C20 H17 N3 O2	c1ccc(cc1)....
485	3GC9	-	B45	C28 H27 Cl3 F N3 O	CC(C)N1CCC....
486	4KS7	-	7KC	C25 H30 N8 O S	Cc1nc2ccsc....
487	4KS8	-	B49	C22 H27 F N4 O2	CCN(CC)CCN....
488	6TE2	-	N4N	C15 H11 N3 O2 S	c1ccnc(c1)....
489	6HMB	-	3NG	C19 H12 Cl N3 O2	c1cc(cc(c1....
490	7A22	ic50 = 1.98 uM	QWW	C5 H Br3 N4	c12c(c(c(n....
491	3OFM	-	4B0	C9 H7 Br4 N3 O	C(Cn1c2c(c....
492	6HMC	-	FXB	C21 H21 N O3	CC(C)n1c2c....
493	5YF9	-	NIO	C6 H5 N O2	c1cc(cnc1)....
494	6TGU	-	N92	C16 H11 Cl N2 O3 S	c1cc(ccc1c....
495	4DGN	ic50 = 0.35 uM	LU2	C15 H10 O6	c1cc(c(cc1....
496	1M2Q	-	MNX	C13 H7 N O6	c1cc(c2c(c....
497	2OXY	-	K17	C7 H2 Br4 N2	c1[nH]c2c(....
498	1M2R	-	MNY	C14 H10 N2 O4	c1cc(c2c(c....
499	3KXN	-	K8X	C7 H2 I4 N2	c1[nH]c2c(....
500	6QS5	ic50 = 0.57 uM	JGB	C10 H8 N2 O3	c1cc(c(cc1....
501	1ZOE	Ki = 0.04 uM	K25	C9 H7 Br4 N3	CN(C)c1[nH....
502	2PVL	Ki = 0.024 uM	P55	C18 H20 N8	CCN1CCN(CC....
503	1LP4	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
504	2PVN	Ki = 0.00035 uM	P63	C20 H16 N8 O	CC(=O)Nc1c....
505	3KXG	-	K6X	C7 H Br5 N2	c12c(c(c(c....
506	3BE9	Ki = 24 nM	P04	C19 H21 N7 O	c1cc2cc(c1....
507	2OXX	-	K22	C7 H2 Br4 N2 S	c12c(c(c(c....
508	3KXM	-	K74	C11 H9 Br4 N3 O S	CNC(=O)CSc....
509	1LR4	-	BEN	C7 H8 N2	[H]/N=C(c1....
510	1OM1	Ki = 0.17 uM	IQA	C17 H12 N2 O3	c1ccc2c(c1....
511	1ZOH	Ki = 0.1 uM	K44	C10 H7 Br4 N3	C[N@@]1CCn....
512	2PVK	Ki = 0.008 uM	P45	C19 H14 Cl N7	c1ccc(cc1)....
513	1DAY	-	GNP	C10 H17 N6 O13 P3	c1nc2c(n1[....
514	5BYZ	ic50 = 0.042 uM	4WE	C25 H32 F N7 O	Cc1ncc(n1C....
515	6HKN	ic50 = 0.051 uM	G9E	C22 H21 F3 N4 O3	COc1ccc2c(....
516	4ZSJ	ic50 = 2.3 uM	4R0	C13 H17 Cl N6 O	Cc1cc(ccc1....
517	4ZSG	-	4QX	C12 H15 Cl N6 O	CC(C)NC(=O....
518	6HKM	ic50 = 270 nM	G92	C23 H22 F3 N3 O4	COc1cc2c(c....
519	3EH9	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
520	1IG1	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
521	5AUW	ic50 = 8.9 uM	QUE	C15 H10 O7	c1cc(c(cc1....
522	5AV2	-	KMP	C15 H10 O6	c1cc(ccc1C....
523	5AUU	ic50 = 21 uM	LU2	C15 H10 O6	c1cc(c(cc1....
524	3EHA	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
525	5AV3	-	KMP	C15 H10 O6	c1cc(ccc1C....
526	5AUT	Kd = 6.7 uM	2AN	C16 H13 N O3 S	c1ccc(cc1)....
527	5AV0	ic50 = 280 uM	47X	C15 H10 O5	c1cc(c(cc1....
528	1JKK	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
529	3F5U	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
530	5AV4	-	GEN	C15 H10 O5	c1cc(ccc1C....
531	5AUX	ic50 = 10 uM	KMP	C15 H10 O6	c1cc(ccc1C....
532	5AUV	ic50 = 31 uM	AGI	C15 H10 O5	c1cc(ccc1C....
533	2XK6	-	EQH	C18 H21 N3 O2 S	c1csc(c1C2....
534	2W5A	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
535	5M55	ic50 = 0.24 uM	7GG	C17 H20 N6	CCN(CC)/C=....
536	6SK9	ic50 = 1.42 uM	F9N	C23 H33 N7 O3 S	CN(C)CCCNS....
537	2XNM	ic50 = 0.16 uM	WGZ	C27 H27 F3 N4 O3 S	C[C@H](c1c....
538	2XKF	ic50 = 0.87 uM	BX1	C19 H24 N4 O5	COc1cc(cc(....
539	2JAV	ic50 ~ 8 uM	5Z5	C17 H16 Cl N3 O2	Cc1c([nH]c....
540	5M53	ic50 = 0.62 uM	7GJ	C21 H26 N6 O2	CN(C)C(=O)....
541	2XK8	ic50 = 2.4 uM	5R1	C21 H21 N3 O6	COc1cc(ccc....
542	2WQO	-	VGK	C21 H20 N2 O5	COc1cc(cc(....
543	2XKE	ic50 = 4.2 uM	WI2	C17 H20 N4 O3	COc1cccc(c....
544	2XNN	-	430	C21 H16 F3 N3 O2 S	C[C@H](c1c....
545	2XK7	ic50 = 1.5 uM	30E	C21 H28 N4 O5	CC[C@H]1C[....
546	1Z5M	ic50 = 30 nM	LI8	C23 H31 Br N8 O3	CC(C)(C(=O....
547	5HKM	ic50 = 0.013 uM	61Y	C16 H15 N7	CCc1cc(nc(....
548	3QD0	ic50 = 3.16 nM	3Q4	C24 H26 N8 O	C[C@@H]1CC....
549	3ORZ	-	BI4	C27 H26 N4 O2	C[N@]1CCC[....
550	5LVN	Kd = 20 uM	ADN	C10 H13 N5 O4	c1nc(c2c(n....
551	2XCH	ic50 = 374 nM	CKG	C22 H25 N7 O	c1c2c(nc(n....
552	4AW0	-	MJF	C18 H15 Cl O5	c1ccc(cc1)....
553	3OTU	-	BI4	C27 H26 N4 O2	C[N@]1CCC[....
554	3QCX	ic50 = 63 nM	3Q2	C16 H19 N7 O	C[C@@H]1CO....
555	1UU3	ic50 = 0.75 uM	LY4	C28 H28 N4 O3	CN(C)C[C@@....
556	5LVL	Kd = 1.25 uM	537	C14 H8 N2 O	c1ccc2c(c1....
557	3QC4	ic50 = 0.002 uM	MP7	C28 H22 F2 N4 O4	c1ccc(cc1)....
558	3QCY	ic50 = 20 nM	3Q3	C22 H22 N8 O2	c1ccc(cc1)....
559	1UU8	ic50 = 9 uM	BI1	C25 H24 N4 O2	CN(C)CCCn1....
560	4CT1	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
561	4A07	-	AZ7	C17 H13 Cl3 N2 O2	c1cc(ccc1[....
562	2X39	ic50 = 2.2 nM	X39	C19 H21 Cl N6 O	c1cc(ccc1C....
563	3E87	-	GLY ARG PRO ARG THR THR SER PHE ALA GLU	n/a	n/a
564	4QNA	ic50 = 0.023 uM	X11	C9 H9 N5 O	c1ccc(c(c1....
565	4QMO	ic50 = 0.019 uM	34L	C13 H8 N4 O S	c1cc2c(c3c....
566	4QMW	ic50 = 0.086 uM	KS1	C17 H17 N7	c1c[nH]c2c....
567	3A7H	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
568	4QML	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
569	4QO9	ic50 = 0.16 uM	627	C26 H30 N6 O3	CN1CCN(CC1....
570	4QMQ	ic50 = 0.26 uM	34U	C24 H27 N5 O2	COCCOc1ccc....
571	4QMY	ic50 = 0.004 uM	STU	C28 H26 N4 O3	C[C@@]12[C....
572	3A7J	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
573	4W8D	-	3JA	C14 H16 N6 O	Cn1cc(cn1)....
574	4QMN	ic50 = 0.003 uM	DB8	C26 H29 Cl2 N5 O3	CN1CCN(CC1....
575	4QMS	ic50 = 7.4 uM	1N1	C22 H26 Cl N7 O2 S	Cc1cccc(c1....
576	4QMV	ic50 = 0.023 uM	34W	C23 H25 F3 N6 O2	CC(=O)NCC(....
577	3A7I	-	ADE	C5 H5 N5	c1[nH]c2c(....
578	6ISJ	-	3NG	C19 H12 Cl N3 O2	c1cc(cc(c1....
579	4EL9	-	AFE	C21 H20 O10	C[C@H]1[C@....
580	5D9L	ic50 = 0.024 uM	583	C15 H12 N2 O2	c1cc(ccc1c....
581	6YG2	-	8E8	C25 H26 N6 O2	CCC(=O)N1C....
582	2XK9	ic50 = 0.03 nM	XK9	C18 H17 N7 O4	C/C(=NNC(=....
583	2YCS	ic50 = 1.36 nM	NXP	C18 H18 N6 O	C/C(=NNC(=....
584	2WTI	ic50 = 0.092 uM	WTI	C18 H15 N3 O3 S	c1cc(ccc1c....
585	2YIR	ic50 = 0.17 nM	YIR	C20 H19 N7 O3	[H]/N=C(N)....
586	2XBJ	ic50 = 0.003 uM	XBJ	C23 H27 F N4 O4	CC(C)([C@@....
587	2XM9	ic50 = 0.009 uM	LWH	C21 H20 N6 O	c1ccc2c(c1....
588	2YIQ	ic50 = 12.67 nM	YIQ	C20 H19 N7 O	C/C(=NNC(=....
589	2CN5	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
590	3HZT	-	J60	C22 H27 Cl N4 O2	CCN(CC)CCN....
591	4FG8	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
592	5K00	ic50 = 7 nM	6PV	C32 H34 N6 O4	COc1cccc(c....
593	5MAG	-	7KC	C25 H30 N8 O S	Cc1nc2ccsc....
594	5IHC	ic50 = 0.013 uM	6BB	C20 H21 F N4 O	c1ccc(c(c1....
595	2F57	-	23D	C19 H24 Cl N7	CCn1cnc2c1....
596	5L2S	-	6ZV	C27 H32 F2 N8	CCN1CCN(CC....
597	4AUA	ic50 = 7.2 uM	4AU	C12 H9 N3 O	c1ccc2c(c1....
598	6YLC	-	OXW	C20 H19 F N10	CN1CCC(CC1....
599	6BUU	-	GLY ARG PRO ARG THR THR ZXW PHE ALA GLU	n/a	n/a
600	3QKM	ic50 = 0.038 uM	SM9	C31 H43 N5 O4 S	CCOCCN(C[C....
601	3CQU	ic50 = 151 nM	CQU	C15 H13 N7	Cc1[nH]c(n....
602	2WEI	ic50 = 3.4 nM	VGG	C17 H21 N5	Cc1cccc(c1....
603	4EYJ	-	N61	C20 H23 N5 O2	CC(C)(C)c1....
604	3C0G	-	3AM	C10 H14 N5 O7 P	c1nc(c2c(n....
605	3MFR	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
606	4OTI	ic50 = 43 nM	MI1	C16 H20 N6 O	C[C@@H]1CC....
607	6QF4	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
608	6SPW	ic50 = 4.5 uM	DAS ASP ASP ASP ASP ASP LYS A0Z	n/a	n/a
609	5ONI	-	9YE	C23 H25 N O3	CC(C)n1c2c....
610	3WF7	ic50 = 206 nM	FS9	C18 H17 F3 N6 O	c1cc(cc(c1....
611	4L3J	-	5FI	C19 H21 F3 N6	CCc1cncnc1....
612	3WF6	ic50 = 33 nM	FZ9	C18 H16 N6	c1ccc2c(c1....
613	4AU8	ic50 = 551 nM	Z3R	C11 H8 N2 O2 S3	c1ccc2c(c1....
614	6B16	Ki = 32 nM	C7Y	C19 H20 N8	C[C@@H](c1....
615	5DFP	Ki = 22 nM	59U	C28 H32 Cl N7 O	CCN1c2c(cn....
616	3FXZ	ic50 = 130 nM	FLL	C30 H18 Cl F N5 O4 Ru	c1ccc(cc1)....
617	5IME	Ki = 4.6 nM	6BZ	C22 H22 Cl N7 O2	CC1=NC=CN(....
618	4ZY6	Ki = 5 nM	4T6	C18 H17 Cl N8	c1cc2c(c(c....
619	3Q53	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
620	4EQC	ic50 = 8 nM	XR1	C29 H28 Cl N7 O S	CCN1c2c(cn....
621	4ZJJ	Kd = 9.9 nM	4OR	C24 H29 Cl F N5 O	CCN1c2ccc(....
622	5KBR	ic50 = 260 nM	IPW	C22 H20 Cl N5 O	c1cc(ccc1C....
623	4ZLO	ic50 = 12 uM	4PV	C18 H18 F2 N4	CN1CCN(CC1....
624	4ZJI	Kd = 340 nM	4OQ	C20 H22 Cl F N4	CCN1c2ccc(....
625	5DEY	Ki = 3.7 nM	59T	C25 H25 Cl N6 O3	Cc1cccc(n1....
626	3Q4Z	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
627	4ZY5	Ki = 26 nM	4T5	C17 H25 N7	c1cnc(nc1N....
628	5JZJ	-	AN2	C10 H16 N6 O9 P2	c1nc(c2c(n....
629	3SLS	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
630	5AX9	ic50 = 8 nM	4KT	C24 H24 N4 O3	COc1ccc(cc....
631	2J7T	-	274	C28 H30 Cl N5 O4 S	Cc1c([nH]c....
632	4JQE	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
633	4MWH	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
634	4LFI	-	GNP	C10 H17 N6 O13 P3	c1nc2c(n1[....
635	3GGF	-	GVD	C22 H19 N7	c1ccc2c(c1....
636	4U44	ic50 = 0.008 uM	3D9	C17 H13 N5	c1ccc(cc1)....
637	4RVT	ic50 = 1.9 uM	3XM	C17 H19 N O4	CCCCCC(=O)....
638	4OBO	ic50 = 0.077 uM	2QV	C14 H10 Cl N3	c1cc(cc(c1....
639	3DAK	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
640	1CM8	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
641	3EQD	-	AGS	C10 H16 N5 O12 P3 S	c1nc(c2c(n....
642	3EQC	-	AGS	C10 H16 N5 O12 P3 S	c1nc(c2c(n....
643	3EQI	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
644	1QL6	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
645	1PHK	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
646	3M2W	ic50 < 0.003 uM	L8I	C23 H21 F N4 O	CN1CC2(C1)....
647	3BHY	-	7CP	C18 H18 Cl2 N4 O	Cn1c2c(ccc....
648	2J90	-	IZA	C18 H16 F N3 O	CC(C)(C)c1....
649	5VJA	-	DUK	C14 H12 Cl N5 O2 S	C[C@H](C(=....
650	5A6N	ic50 = 52 uM	U7E	C7 H7 N5 O2 S	c1cc(cc(c1....
651	6CMJ	ic50 = 5 nM	F6J	C24 H22 N2 O2	CC(C)Cc1cc....
652	3E7O	ic50 = 120 nM	35F	C20 H14 N6 O2	c1cc(cc(c1....
653	2VN9	-	GVD	C22 H19 N7	c1ccc2c(c1....
654	4EJN	ic50 = 0.005 uM	0R4	C33 H26 F N7 O2	CC(=O)Nc1c....
655	4WNO	ic50 = 160 nM	3RF	C20 H19 N7	c1ccc2c(c1....
656	4WNP	ic50 = 8 nM	3RJ	C22 H20 N8	c1ccc2c(c1....
657	6QAS	-	34W	C23 H25 F3 N6 O2	CC(=O)NCC(....
658	6MNH	-	JVD	C12 H16 N4 O	C[C@H](C(C....
659	5CI7	ic50 = 120 nM	51W	C18 H24 I N7 O	c1cc(cc(c1....
660	2V7O	-	DRN	C25 H23 N5 O2 S	[H]/N=C(/N....
661	2UV2	-	GVD	C22 H19 N7	c1ccc2c(c1....
662	2JFL	-	DKI	C15 H13 F2 N7 O2 S2	c1cc(c(c(c....
663	3AQV	-	TAK	C24 H25 N5 O	c1cc(ccc1c....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: L8I; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	L8I	1	1

Similar Ligands (3D)

Ligand no: 1; Ligand: L8I; Similar ligands found: 3

No:	Ligand	Similarity coefficient
1	05B	0.9009
2	PMU	0.8705
3	0JB	0.8548

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

Pocket No.: 1; Query (leader) PDB : 3M2W; Ligand: L8I; Similar sites found with APoc: 74

This union binding pocket(no: 1) in the query (biounit: 3m2w.bio1) has 17 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	4EWH	T77	12.3636
2	4EWH	T77	12.3636
3	4CRL	C1I	14.7157
4	6SM8	LKT	17.7258
5	6SM8	LKT	17.7258
6	6LVK	EVC	21.7391
7	6LVK	EVC	21.7391
8	2PVF	ACP	21.7391
9	6I82	H6W	23.2484
10	6I82	H6W	23.2484
11	4IDT	T28	23.7458
12	2CSN	CKI	26.2626
13	1U5R	ATP	26.4214
14	1U5R	ATP	26.4214
15	1U5R	ATP	26.4214
16	4TWP	AXI	26.9373
17	5JGA	6KC	27.4247
18	3SRV	S19	27.4368
19	3SRV	S19	27.4368
20	3IOK	1P6	28.4281
21	5LI1	ANP	31.7726
22	1U59	STU	32.0557
23	4N70	2HX	32.107
24	1Q8Y	ADP	33.4448
25	6A1G	9OL	33.7793
26	3BU5	ATP	35.1171
27	4WNK	453	37.4582
28	6K3L	3NG	37.8698
29	6U7C	Q1Y	38.1271
30	5HQ0	LZ9	38.796
31	6OVA	N9G	39.1304
32	3TXO	07U	39.1304
33	2BPM	529	39.1304
34	4BCN	T9N	39.1304
35	4CFU	2WC	39.1304
36	2BPM	529	39.1304
37	3LXN	MI1	39.4649
38	6E2O	S0L	39.661
39	6E2O	S0L	39.661
40	1UNH	IXM	40.0685
41	4UX9	ANP	40.1338
42	4UX9	ANP	40.1338
43	6GUE	FB8	40.1338
44	2JLD	AG1	40.1338
45	2JLD	AG1	40.1338
46	2JLD	AG1	40.1338
47	2JLD	AG1	40.1338
48	1V0O	INR	40.2778
49	1V0O	INR	40.2778
50	2JDR	GLY ARG PRO ARG THR THR SER PHE ALA GLU	40.4682
51	2JDR	L20	40.4682
52	4OTH	DRN	40.4682
53	2WU6	DKI	40.4682
54	5N87	N66	40.4682
55	4NM5	ADP	41.1371
56	4NM5	ADP	41.1371
57	1XJD	STU	41.4716
58	2B9I	ADP	42.1405
59	2B9J	ADP	42.1405
60	2B9F	ADP	42.1405
61	3RWP	ABQ	42.8058
62	3RWP	ABQ	42.8058
63	5X8I	SQZ	42.8094
64	5X8I	SQZ	42.8094
65	6C0T	EE4	42.8094
66	2QCS	ANP	43.8127
67	4WB7	ATP	43.8127
68	6YNC	7CT	43.8127
69	4WB7	ATP	43.8127
70	4WB6	ATP	44.1472
71	2GU8	796	44.1472
72	4WB6	ATP	44.1472
73	3IDB	ANP	44.1472
74	6FYL	3NG	47.1572

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