Showing PDB: 2wf0

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Family: 90%

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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
2wf0	1.6 Å	EC: 3.4.23.46	HUMAN BACE-1 IN COMPLEX WITH 4-ETHYL-N-((1S,2R)-2-HYDROXY-1- (PHENYLMETHYL)-3-(((3-(TRIFLUOROMETHYL)PHENYL)METHYL)AMINO)P ROPYL)-8-(2-OXO-1-PYRROLIDINYL)-6-QUINOLINECARBOXAMIDE	HOMO SAPIENS	HYDROLASE MEMAPSIN-2 POLYMORPHISM GLYCOPROTEIN ASP-2 BACE-1 ZYMOGEN PROTEASE MEMBRANE TRANSMEMBRANE BETA-SECRETASE DISULFIDE BOND ASPARTYL PROTEASE ALTERNATIVE SPLICING BETA-SITE APP CLEAVING ENZYME
Ref.:	SECOND GENERATION OF BACE-1 INHIBITORS. PART 1: THE NEED FOR IMPROVED PHARMACOKINETICS. BIOORG.MED.CHEM.LETT. V. 19 3664 2009

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Chemaxon Viewer	Molecular Weight (Da)	Formula	SMILES
ZY0	A:2000;	Valid;	none;	ic50 = 0.21 uM		604.662	C34 H35 F3 N4 O3	CCc1c...

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90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4GID	2 Å	EC: 3.4.23.46	STRUCTURE OF BETA-SECRETASE COMPLEXED WITH INHIBITOR	HOMO SAPIENS	ASPARTIC PROTEASE BETA SECRETASE APP BACE A-BETA PROTEAMEMAPSIN ALZHEIMER DRUG DESIGN HYDROLASE-HYDROLASE INHIBCOMPLEX
Ref.:	STRUCTURE-BASED DESIGN OF HIGHLY SELECTIVE BETA-SEC INHIBITORS: SYNTHESIS, BIOLOGICAL EVALUATION, AND PROTEIN-LIGAND X-RAY CRYSTAL STRUCTURE. J.MED.CHEM. V. 55 9195 2012

Members (239)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	3IND	ic50 = 1.53 uM	593	C20 H25 N3 O	CN1C(=O)[C....
2	2HM1	ic50 = 13 nM	LIQ	C33 H42 F2 N4 O5 S	CCCCCS(=O)....
3	2B8L	ic50 = 15 nM	5HA	C31 H38 N4 O5 S	C[C@H](c1c....
4	4LXK	ic50 = 0.004 uM	1YT	C27 H36 F4 N2 O4 S	CC(C)(C)c1....
5	4JPE	ic50 = 40 nM	1M7	C19 H21 N5 O	CC1(Cc2ccc....
6	4RCE	ic50 = 2 nM	3LN	C24 H24 N4 O3	CC(C)(C)CO....
7	1TQF	ic50 = 1.4 uM	32P	C29 H34 F N3 O6 S	C[C@H](c1c....
8	3L5E	ic50 = 27 nM	BDW	C32 H49 N5 O2	[H]/N=C1/N....
9	2OHN	-	4FP	C12 H16 F N	c1cc(ccc1C....
10	4R95	Ki = 22 nM	3KW	C28 H39 N5 O	[H]/N=C/1N....
11	2QMG	Ki = 0.7 nM	SC6	C34 H39 F2 N3 O5	Cc1cc(cc(c....
12	2WJO	-	QUD	C29 H37 N4 O2	c1ccc(cc1)....
13	4BFD	ic50 = 0.096 uM	8T3	C19 H18 Cl F N4 O	C[C@]1(C[C....
14	2XFK	ic50 = 3 nM	AA9	C35 H47 N5 O5 S	CCNc1cc(cc....
15	4D89	ic50 = 0.002 uM	BXD	C28 H38 F4 N2 O5 S	CCOC[C@H](....
16	4FM8	ic50 = 2.4 uM	0UQ	C24 H32 F N3 O3 S	C[C@H]1C[C....
17	2IQG	ic50 = 5 nM	F2I	C32 H38 F2 I N3 O3	CCCN(CCC)C....
18	3HW1	ic50 = 0.87 mM	EV2	C12 H14 N4	c1ccc2c(c1....
19	4JOO	ic50 = 36830 nM	1M4	C14 H16 Br N3 O2	CC1(C[C@@]....
20	4FRI	ic50 = 2.85 uM	DWA	C21 H18 F N3 O2	COc1ccc(cc....
21	2ZHR	-	GLU VAL ASN 1OL ALA GLU PHE	n/a	n/a
22	2WF1	ic50 = 0.002 uM	ZY1	C32 H38 N4 O5 S	CCc1cn2c3c....
23	2QP8	ic50 = 8 nM	SC7	C31 H43 F2 N3 O4	CCCN(CCC)C....
24	3NSH	ic50 = 470 nM	957	C24 H32 F2 N2 O2 S	CC(=O)N[C@....
25	4HZT	ic50 = 0.75 uM	0ZA	C21 H21 Cl N4 O2	CC1(Cc2cc(....
26	4BEK	ic50 = 41.2 uM	XK0	C12 H16 N2 O S	C[C@]1(CCS....
27	4J1H	ic50 = 0.776 uM	1HJ	C19 H15 F4 N5 O2	C[C@]1(C[C....
28	4B78	ic50 = 3.2 uM	KGG	C23 H23 N3 O2	COc1ccc(cc....
29	4HA5	Ki = 56 nM	13W	C17 H16 N4 O S	[H]/N=C/1N....
30	2P83	ic50 = 11 nM	MR0	C33 H40 F2 N4 O5	CCCN(CCC)C....
31	4B1C	ic50 = 0.079 uM	1B1	C21 H20 N4	CC#Cc1cc(c....
32	2OAH	Kd = 2 uM	QIN	C24 H37 N5 O3 S2	CCCC[C@@H]....
33	2B8V	ic50 = 98 nM	3BN	C29 H33 N3 O5 S	CN(c1cc(cc....
34	2WF4	ic50 = 13 nM	ZY4	C29 H38 N4 O6 S	CCn1cc2c3c....
35	3IN4	ic50 = 0.04 uM	BX2	C23 H24 N6 O	CCc1cc(cc(....
36	3FKT	ic50 = 2.8 uM	SII	C28 H34 F N5 O2	CC(=O)Nc1c....
37	3L5D	ic50 ~ 78000 nM	BDV	C21 H33 N5 O2	[H]/N=C1/N....
38	2ZE1	ic50 = 0.6 uM	411	C26 H22 Br N5 O2	[H]/N=C(N)....
39	2OHS	ic50 = 40 uM	9IP	C18 H18 N4 O	COc1cc(cnc....
40	3UDH	ic50 = 1.1 mM	091	C11 H12 N2 O	c1ccc2c(c1....
41	3K5G	ic50 = 0.0025 uM	BJC	C35 H51 N3 O3	CC(C)c1ccc....
42	3UDP	ic50 = 6 uM	09D	C21 H19 Br N2 O3 S	c1ccc2c(c1....
43	4DH6	ic50 = 16.8 nM	0KN	C31 H43 N3 O6	C[C@H](C(=....
44	3RSV	ic50 = 0.0007 uM	3RS	C27 H33 N3 O2	Cc1ccccc1c....
45	3KMX	Kd = 15 uM	G00	C12 H17 Cl N2 O S	[H]/N=C(/N....
46	4H3F	Ki = 1 nM	10O	C24 H22 N6 O2 S	[H]/N=C/1N....
47	2QK5	ic50 = 8 nM	CS5	C33 H41 F2 N3 O4	CCCN(CCC)C....
48	3UFL	ic50 = 0.15 uM	508	C31 H34 N2 O	c1ccc(cc1)....
49	4I12	ic50 = 40 uM	1BC	C27 H29 Cl N6 O S	CCCc1c(c(c....
50	3LPK	Ki = 0.8 nM	Z76	C35 H42 F2 N4 O6 S	Cc1cccc(c1....
51	3CKP	Ki = 5.001 uM	012	C31 H39 N5 O4	CN(C)c1ccc....
52	4J1K	ic50 = 0.013 uM	1HG	C19 H14 F5 N5 O2	C[C@]1([C@....
53	3PI5	ic50 = 0.95 uM	3P5	C22 H26 Br N O4 S	c1cc(cc(c1....
54	1YM2	-	ACE LEU MET 24O VAL LYT	n/a	n/a
55	4J1C	ic50 = 0.049 uM	1HO	C18 H13 F4 N5 O2	c1cc(c(cc1....
56	3INH	ic50 = 0.02 uM	569	C21 H15 F4 N5 O2	CN1C(=O)[C....
57	4N00	ic50 = 9.5 nM	2EX	C20 H19 F N4 O3	CN1C(=O)[C....
58	2HIZ	ic50 = 112 nM	LIJ	C36 H49 N3 O7 S	CCCC(CCC)S....
59	2P4J	Ki = 1.1 nM	23I	C36 H55 N5 O7 S	CC(C)C[C@@....
60	4I0D	ic50 = 0.61 uM	1B7	C21 H25 Cl N2 O2 S	CCCc1cscc1....
61	4R91	Ki = 430 nM	3KT	C24 H42 N4 O	[H]/N=C/1N....
62	4DJX	Ki = 59 nM	0KQ	C18 H17 Cl N4 O	[H]/N=C/1N....
63	4ACU	ic50 = 1e-08 M	QN7	C24 H20 F3 N5 O	COc1cccc(c....
64	4H1E	Ki = 3 nM	10J	C25 H21 N5 O2 S	[H]/N=C/1N....
65	2IRZ	ic50 = 12 nM	I02	C28 H30 F N5 O4 S	C[C@H](c1c....
66	2VNN	ic50 = 2 nM	CM7	C32 H35 F3 N4 O4 S	CCc1cn2c3c....
67	4RRN	ic50 = 48 nM	3UW	C20 H19 F N4 O3	CN1C(=O)[C....
68	4H3I	Ki = 3 nM	10V	C24 H22 N6 O2 S	[H]/N=C/1N....
69	2QZK	ic50 = 27 nM	I21	C34 H27 N3 O3	C[C@]1(Cc2....
70	4PZX	ic50 = 0.13 uM	2X5	C19 H18 Cl N3 O3	c1cc2c(cc1....
71	4RRS	ic50 = 210 nM	3UY	C20 H20 F N3 O3	C[C@@]12CC....
72	4J0P	ic50 = 0.051 uM	1H8	C18 H16 F N5 O2	C[C@]1(CCO....
73	2WEZ	ic50 = 0.023 uM	ZYE	C33 H38 N4 O4	CCn1ccc2c1....
74	2OHU	ic50 = 4.2 uM	IP7	C26 H23 N5 O	c1ccnc(c1)....
75	3UDY	ic50 = 2 uM	09G	C20 H16 Br N3 O3	c1ccc2c(c1....
76	4JP9	ic50 = 24 nM	1M5	C20 H20 Cl N3 O2	CC1(C[C@@]....
77	3I25	Ki = 3.1 nM	MV7	C45 H55 F2 N5 O10 S	C[C@H](c1c....
78	2VIZ	ic50 = 605 nM	VG4	C33 H44 N4 O5	CCCOc1cc(c....
79	4RCF	ic50 = 9 nM	3LO	C25 H19 F2 N3 O3	c1cc(c(nc1....
80	3LPJ	ic50 = 120 nM	Z75	C35 H44 F2 N4 O3	CCCN(CCC)C....
81	4EXG	ic50 = 8.5 nM	916	C26 H38 N2 O3 S	CC(=O)N[C@....
82	2XFJ	ic50 = 13 nM	VG5	C32 H45 N5 O4	CCNc1cc(cc....
83	4GID	Ki = 0.017 nM	0GH	C35 H47 N5 O6 S	C[C@H](c1c....
84	2F3E	ic50 = 156 nM	AXQ	C31 H55 N5 O7 S2	CCCCNC(=O)....
85	2VJ9	ic50 = 180 nM	VG7	C29 H40 N4 O3	CCNc1cc(cc....
86	2VA7	ic50 = 640 nM	C27	C21 H25 N3 O2	C[C@]1(CC(....
87	3BRA	Kd = 2000 uM	AEF	C8 H11 N O	c1cc(ccc1C....
88	3KN0	Kd = 100 uM	3TO	C20 H23 N3 O	C[N@@](Cc1....
89	4DPF	ic50 = 400 nM	0LG	C35 H44 N4 O6 S	CC(C)c1ccc....
90	4DJY	Ki = 5.4 nM	0KR	C21 H20 N4 O	[H]/N=C/1N....
91	2OHR	ic50 = 100 uM	8IP	C17 H16 N4	c1cc(cc(c1....
92	4D88	ic50 = 0.049 uM	BXQ	C26 H34 F4 N2 O4 S	CC(C)(C)c1....
93	3MSL	ic50 = 7 uM	EV5	C19 H27 Cl N4 O	CC[C@@H](C....
94	2OHQ	ic50 = 25 uM	7IP	C20 H20 N2 O	COc1cccc(c....
95	2WF2	ic50 = 0.026 uM	ZY2	C32 H41 N5 O5 S	CCN1CCN2CC....
96	4I11	ic50 = 27.2 uM	1CH	C20 H22 N2 O2	CC1(Cc2ccc....
97	3ZMG	ic50 = 0.023 uM	6Z0	C18 H14 F3 N5 O2	[H]/N=C1/N....
98	4I0Z	ic50 = 0.47 uM	1BB	C24 H22 Cl N5 O	CC1(Cc2cc(....
99	2VKM	Ki = 1.8 nM	BSD	C36 H42 N4 O6 S	C[C@H](c1c....
100	4EWO	ic50 = 44 nM	996	C26 H40 N4 O2	CC(=O)N[C@....
101	4B05	Ki = 26 nM	32D	C24 H16 F3 N5	c1cc(cc(c1....
102	4J0V	ic50 = 0.028 uM	1H7	C18 H15 F2 N5 O2	C[C@]1([C@....
103	4DI2	ic50 = 5.5 nM	0K9	C33 H44 N4 O4 S	C[C@H](C(=....
104	3OHF	ic50 = 94 nM	3HF	C36 H46 N4 O4	CCCCN(CCCC....
105	3L3A	ic50 = 0.42 uM	625	C26 H23 Cl N4 O	c1ccc(c(c1....
106	2ZDZ	ic50 = 0.7 uM	310	C27 H23 Cl N4 O3	[H]/N=C(N)....
107	4I0G	-	1B9	C18 H18 Br Cl N2 O2 S	CC1(Cc2cc(....
108	3LNK	ic50 = 1150 nM	74A	C35 H42 F2 N4 O4	CCCN(CCC)C....
109	3IXJ	ic50 = 0.32 nM	586	C43 H51 F2 N5 O9 S	CC(C)[C@@H....
110	3L38	ic50 = 0.1 uM	879	C26 H20 Cl N5 O	c1ccc(c(c1....
111	2VIY	ic50 = 1.8 uM	VG3	C31 H45 N3 O5 S	CCCCCS(=O)....
112	3L5C	ic50 = 7000 nM	BDQ	C24 H28 N6 O2	[H]/N=C1/N....
113	4J17	ic50 = 0.054 uM	1HQ	C18 H14 F3 N5 O2	c1cc(c(cc1....
114	3IXK	ic50 = 6.6 nM	929	C44 H53 F2 N5 O8 S	CC(C)[C@@H....
115	4K8S	ic50 = 0.036 uM	1QT	C32 H44 N2 O3	CCc1ccc2c(....
116	2FDP	Ki = 0.026 uM	FRP	C33 H41 F N4 O3	CCCN(CCC)C....
117	3BUH	Kd = 220 uM	AED	C14 H21 N O	c1cc(c(cc1....
118	1YM4	ic50 = 0.039 uM	GLU VAL ASN 24M ALA	n/a	n/a
119	4FRK	ic50 = 0.008 uM	DWD	C23 H22 N4 O3	CC(C)COc1c....
120	4KE0	ic50 = 0.017 uM	1R8	C31 H42 N2 O3	CCc1ccc2c(....
121	2G94	Ki = 0.3 nM	ZPQ	C30 H54 N6 O8 S	Cc1cc(n(n1....
122	4I0E	-	1B8	C21 H20 Br Cl N4 O2 S	CC1(Cc2cc(....
123	4AZY	ic50 = 125 nM	7F3	C24 H14 F5 N5	c1cc2c(c(c....
124	4FGX	ic50 = 73 nM	2OP VAL GNC PSA LEU ALA ZAE	n/a	n/a
125	4I1C	ic50 = 0.4 uM	1BE	C24 H27 Cl N4 O2 S	CCCc1c(c(c....
126	4B77	ic50 = 7.9 uM	54M	C21 H20 N4 O	COc1ccc(cc....
127	3VV8	ic50 = 17.1 uM	B02	C21 H21 N3 O	Cc1cccc(c1....
128	3EXO	ic50 = 24 uM	5MS	C18 H18 N4 O2 S	Cc1ccc(cc1....
129	3S7L	ic50 = 0.08 uM	591	C19 H19 N7 O	CCn1cc(cn1....
130	2VJ6	ic50 = 13 nM	VG5	C32 H45 N5 O4	CCNc1cc(cc....
131	3DUY	ic50 = 1.4 uM	AFJ	C25 H49 N3 O4 S	CCCCNC(=O)....
132	3L58	ic50 = 8 nM	CS5	C33 H41 F2 N3 O4	CCCN(CCC)C....
133	4JPC	ic50 = 94 nM	1M6	C21 H20 N4 O2	CC1(C[C@@]....
134	4J0T	ic50 = 0.148 uM	6T9	C19 H19 F3 N4 O3	CCOc1ccc(n....
135	3RU1	Kd = 14.2 uM	3RU	C19 H25 N3 O	c1ccc2c(c1....
136	3K5F	ic50 = 3.7 uM	AYH	C29 H47 N3 O4	CCCCNC(=O)....
137	4J0Z	ic50 = 0.077 uM	1H5	C18 H14 F3 N5 O2	c1cc(c(cc1....
138	3RSX	Kd = 38.8 uM	RSV	C13 H10 N2 S	c1cc(nc2c1....
139	2VA6	ic50 = 590 nM	H24	C19 H21 N3 O2	C[C@]1(CC(....
140	4B00	ic50 = 2.44 nM	I6X	C30 H25 F N4 O	CCN1C=C(C=....
141	3VV6	ic50 = 157 uM	B00	C14 H15 N3 O	CN1C(=O)C=....
142	4IVT	ic50 = 1.7 uM	VTI	C20 H19 Cl2 N5 O2	[H]/N=C(NC....
143	3LPI	ic50 = 5 nM	Z74	C34 H42 F2 N4 O5 S	CCCN(CCC)C....
144	4J1F	ic50 = 0.012 uM	1HL	C19 H15 F4 N5 O2	C[C@]1(C[C....
145	4DJU	Ki = 3.6 uM	0KK	C16 H15 N3 O	[H]/N=C/1N....
146	2OHT	ic50 = 9.1 uM	IP6	C20 H18 N4	c1cc(cc(c1....
147	2OHK	-	1SQ	C9 H8 N2	c1ccc2c(c1....
148	3UDN	ic50 = 7 uM	09B	C20 H17 N3 O3	c1ccc2c(c1....
149	4J1I	ic50 = 0.04 uM	1HH	C19 H14 F5 N5 O2	C[C@]1([C@....
150	2QMF	ic50 = 3 nM	CS9	C34 H41 F2 N3 O4	CCCN(CCC)C....
151	3CIC	ic50 = 3 nM	316	C35 H42 F2 N4 O4	CCCN(CCC)C....
152	4I10	ic50 = 0.17 uM	1BS	C26 H24 Cl N5 O	CC1(Cc2cc(....
153	3IGB	ic50 = 38 uM	454	C18 H18 N4	c1ccc(cc1)....
154	1M4H	-	GLU LEU ASP 1OL VAL GLU PHE	n/a	n/a
155	2F3F	ic50 = 190 nM	AXF	C24 H42 N4 O4 S2	CCCCNC(=O)....
156	3INF	ic50 = 0.04 uM	X45	C23 H22 N4 O2	Cc1cc(ccc1....
157	3MSK	ic50 = 26 uM	EV4	C18 H25 Cl N4 O	CN(C1CCCCC....
158	4R93	Ki = 16 nM	779	C26 H39 N5 O2	[H]/N=C/1N....
159	3IVI	ic50 = 12 nM	2LI	C29 H36 F2 N4 O2	CC(=O)N[C@....
160	4B72	ic50 = 0.63 uM	2FB	C23 H19 N5 O S	Cc1nc2c(s1....
161	4R5N	ic50 = 76 nM	3J9	C20 H20 F N3 O3	C[C@]12CCC....
162	2PH6	ic50 = 27 nM	712	C28 H32 F N3 O5 S	C[C@H](c1c....
163	4I0F	ic50 = 0.45 uM	1BF	C21 H21 Cl N4 O2 S	CC1(Cc2cc(....
164	4H3G	Ki = 6 nM	10Q	C24 H19 N7 O S	[H]/N=C/1N....
165	2QU3	ic50 = 0.59 uM	462	C22 H22 Cl N3 O2 S	[H]/N=C(N)....
166	4B1E	-	6T6	C21 H20 N4	C[C@]1(NC(....
167	4DVF	ic50 = 128 nM	QSC USC PSA LEU ALA ZAE PLJ	n/a	n/a
168	4DV9	ic50 = 189 nM	2OP VAL GNC PSA LEU ALA ZAE PLJ	n/a	n/a
169	3L5F	ic50 = 605 nM	BDX	C19 H33 N3 O	[H]/N=C/1N....
170	4LXM	ic50 = 0.088 uM	1YU	C26 H31 F7 N2 O3 S	CC(C)(C)c1....
171	2OHP	ic50 = 94 uM	6IP	C15 H15 N3	c1cc(nc(c1....
172	3UDJ	ic50 = 242 uM	092	C13 H14 N2 O3	COC(=O)[C@....
173	2XFI	ic50 = 15 nM	XFI	C33 H42 N4 O5 S	C[C@@H](C(....
174	2OF0	-	CMZ	C15 H23 N O3	Cc1ccc(c(c....
175	4LXA	ic50 = 0.002 uM	1YS	C26 H31 F7 N2 O3 S	CC(C)(C)c1....
176	3UDR	ic50 = 11 uM	09F	C19 H21 N3 O3	c1ccc2c(c1....
177	3TPP	ic50 = 15 nM	5HA	C31 H38 N4 O5 S	C[C@H](c1c....
178	2IS0	ic50 = 200 nM	I03	C28 H32 F N3 O6 S	C[C@H](c1c....
179	3K5C	ic50 = 17 nM	0BI	C35 H45 N3 O4	CC(C)c1ccc....
180	3LHG	ic50 = 0.02 uM	Z81	C21 H16 F2 N4 O	CN1C(=O)[C....
181	3L5B	Kd = 123 uM	BDO	C15 H20 Cl N3 O	[H]/N=C1/N....
182	3S7M	ic50 = 0.06 uM	532	C19 H16 N4 O S	CN1C(=O)[C....
183	4B70	ic50 = 6.3 uM	WM9	C17 H17 Cl N2 O	C[C@@]1(N=....
184	3VEU	ic50 = 55 nM	0GO	C33 H48 N4 O3	CCCN1CCC[C....
185	4DJV	Ki = 0.19 uM	0KM	C23 H21 N3 O2	[H]/N=C/1N....
186	4R8Y	Ki = 0.64 uM	3KO	C24 H40 N4 O2	[H]/N=C/1N....
187	2VJ7	ic50 = 40 nM	VG6	C31 H35 F3 N4 O3	CCNc1cc(cc....
188	3ZOV	-	WZV	C20 H20 F3 N5 O3	C[C@]1(CC(....
189	3INE	ic50 = 0.17 uM	X17	C22 H29 N3 O2	Cc1cc(ccc1....
190	4J0Y	ic50 = 0.435 uM	1H6	C18 H15 F2 N5 O2	C[C@]1([C@....
191	2Q15	Ki = 11 nM	3MR	C31 H42 N4 O2	CN(C1CCCCC....
192	4J1E	ic50 = 0.019 uM	1HM	C19 H14 F5 N5 O2	c1cc(c(cc1....
193	4D8C	ic50 = 0.002 uM	BXD	C28 H38 F4 N2 O5 S	CCOC[C@H](....
194	2VIE	ic50 = 33 nM	VG0	C32 H48 N4 O3	CCNc1cc(cc....
195	2NTR	-	L00	C26 H35 Cl N6 O4 S	C[C@H]1C[C....
196	3VV7	ic50 = 4.6 uM	0B1	C21 H21 N3 O2	CN1C(=O)C=....
197	3DV5	ic50 = 0.027 uM	BAV	C29 H49 N3 O3	C[C@@H]1CC....
198	3L59	Kd = 200 uM	BDJ	C12 H14 Cl N3 O	[H]/N=C1/N....
199	2VIJ	-	C44	C33 H42 N4 O4 S	CCNc1cc(cc....
200	4FM7	ic50 = 0.1 uM	0UP	C24 H32 F N3 O4 S	C[C@H]1C[C....
201	3UDM	ic50 = 33 uM	09A	C19 H18 N2 O3	c1ccc(cc1)....
202	1FKN	-	GLU VAL ASN 1OL ALA GLU PHE	n/a	n/a
203	4D83	ic50 = 0.055 uM	0GT	C27 H34 F2 N2 O3 S	CC(C)(C)c1....
204	4DPI	ic50 = 78 nM	0N1	C34 H41 N3 O4	Cc1cc2cc(c....
205	4B1D	ic50 = 0.012 uM	6TG	C23 H23 N5 O	Cc1cc(cc(c....
206	4ACX	ic50 = 1e-08 M	S8Z	C23 H20 F4 N4 O2	COCC#Cc1cc....
207	3VG1	ic50 = 0.055 uM	0GT	C27 H34 F2 N2 O3 S	CC(C)(C)c1....
208	2P8H	ic50 = 71 nM	MY9	C33 H40 F N5 O6 S	C[C@H](c1c....
209	3BUG	Kd = 660 uM	AEH	C10 H15 N O	CCc1cc(ccc....
210	2QMD	ic50 = 5 nM	CS7	C35 H43 F2 N3 O4	CCCN(CCC)C....
211	4KE1	ic50 = 0.0025 uM	1R6	C34 H41 N3 O4	CCc1ccc2c(....
212	2WF0	ic50 = 0.21 uM	ZY0	C34 H35 F3 N4 O3	CCc1ccnc2c....
213	3IN3	ic50 = 0.06 uM	472	C20 H17 N5 O	CN1C(=O)[C....
214	3HVG	ic50 ~ 2 mM	EV0	C7 H11 N3 O	CCCC1=CC(=....
215	3CIB	ic50 = 14 nM	314	C36 H45 F2 N3 O3	CCCN(CCC)C....
216	3OHH	ic50 = 18 nM	3HH	C34 H37 F2 N5 O4	CCCCN(C)C(....
217	2WF3	ic50 = 0.019 uM	ZY3	C31 H40 N4 O5 S	CCNc1cc(cc....
218	3WB5	ic50 = 18 uM	0B4	C15 H19 N3 O	C[C@]1(CC(....
219	4RRO	ic50 = 26 nM	3UX	C21 H21 F N4 O3	C[C@@]12CC....
220	3VF3	ic50 = 1.37 uM	0GS	C21 H24 Br F3 N2 O3 S	CC(c1cccc(....
221	4FRJ	ic50 = 0.28 uM	DWB	C22 H16 Cl F N2 O3	COc1ccc2c(....
222	2VNM	ic50 = 3 nM	CM8	C31 H37 F3 N4 O4 S	CCNc1cc(cc....
223	2Q11	Ki = 900 nM	XX4	C25 H30 N4 O2	CN(C1CCCCC....
224	3CID	ic50 = 5 nM	318	C34 H40 F2 N4 O4	CCCN(CCC)C....
225	3QBH	ic50 = 0.15 uM	QBH	C29 H40 N2 O6 S	CCCN1[C@H]....
226	3KMY	Kd = 32 uM	D8Y	C13 H13 Cl N2	c1cc(cc(c1....
227	4R92	Ki = 39 nM	3KU	C25 H37 N5 O2	[H]/N=C/1N....
228	4DJW	Ki = 0.53 uM	0KP	C21 H18 N4 O	[H]/N=C/1N....
229	3IVH	ic50 = 47 nM	1LI	C28 H38 F2 N2 O2	CC(=O)N[C@....
230	3MSJ	ic50 = 770 uM	EV3	C10 H12 Cl N3 O	c1cc2c(cc1....
231	3DV1	ic50 = 0.59 uM	AR9	C24 H45 N3 O4	CCCCNC(=O)....
232	3BUF	Kd = 800 uM	AEG	C9 H13 N O	C[C@H](Cc1....
233	4H3J	Ki = 90 nM	10W	C24 H20 F N5 O S	[H]/N=C/1N....
234	4PZW	ic50 = 0.11 uM	2X4	C19 H18 Cl N3 O3	c1cc2c(cc1....
235	2QZL	ic50 = 8 nM	IXS	C34 H44 F N5 O5 S	CC(C)CNC(=....
236	3WB4	ic50 = 220 uM	0B3	C14 H19 N3 O	C[C@]1(CC(....
237	3OOZ	ic50 = 0.014 uM	ZOO	C22 H19 F4 N3 O2	CN1C(=O)[C....
238	2PH8	ic50 = 1800 nM	35A	C24 H33 N3 O4 S	C[C@@H]1CC....
239	4K9H	ic50 = 0.076 uM	1QU	C33 H37 F3 N4 O4	c1ccc(cc1)....