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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4k5z	1.8 Å	EC: 3.4.21.39	CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH FRAGMENT 6-CHLORO-2,3-DIHYDRO-1H-ISOINDOL-1-ONE	HOMO SAPIENS	SERINE PROTEASE GLYCOSYLATED MAST CELLS SECRETED HYDROLAHYDROLASE INHIBITOR COMPLEX
Ref.:	DISCOVERY OF POTENT, SELECTIVE CHYMASE INHIBITORS V FRAGMENT LINKING STRATEGIES. J.MED.CHEM. V. 56 4465 2013

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
1P7	A:703;	Valid;	none;	submit data	167.592	C8 H6 Cl N O	c1cc2...
ZN	A:702;	Part of Protein;	none;	submit data	65.409	Zn	[Zn+2...
NAG	A:701;	Invalid;	none;	submit data	221.208	C8 H15 N O6	CC(=O...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
3N7O	1.8 Å	EC: 3.4.21.39	X-RAY STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH SMALL MOLEC INHIBITOR.	HOMO SAPIENS	SERINE PROTEASE HYDROLASE
Ref.:	POTENCY VARIATION OF SMALL-MOLECULE CHYMASE INHIBIT ACROSS SPECIES. BIOCHEM. PHARMACOL. V. 80 1033 2010

Members (9)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	4K60	ic50 = 570 uM	1P8	C8 H6 Br N O	c1cc2c(cc1....
2	1T31	Ki = 2.3 nM	OHH	C40 H35 N2 O6 P	CN(C1CCN(C....
3	4K5Z	-	1P7	C8 H6 Cl N O	c1cc2c(cc1....
4	3N7O	Ki = 72 nM	N7O	C19 H15 Cl F2 N O3 P S	C[P@@](=O)....
5	3S0N	ic50 = 180 nM	0BB	C21 H20 N2 O3 S	Cc1cccc2c1....
6	5YJM	Kd = 0.000000064 M	8W3	C30 H32 Cl N5 O6	CC[C@H](c1....
7	4K2Y	ic50 = 470 uM	ES2	C8 H6 Cl N O	c1cc2c(cc1....
8	5YJP	ic50 = 0.24 uM	8W6	C26 H31 Cl N4 O6	CC[C@H](c1....
9	4K69	ic50 = 0.04 uM	1P9	C22 H22 Br N3 O4	CCC[C@@H](....

70% Homology Family (9)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	4K60	ic50 = 570 uM	1P8	C8 H6 Br N O	c1cc2c(cc1....
2	1T31	Ki = 2.3 nM	OHH	C40 H35 N2 O6 P	CN(C1CCN(C....
3	4K5Z	-	1P7	C8 H6 Cl N O	c1cc2c(cc1....
4	3N7O	Ki = 72 nM	N7O	C19 H15 Cl F2 N O3 P S	C[P@@](=O)....
5	3S0N	ic50 = 180 nM	0BB	C21 H20 N2 O3 S	Cc1cccc2c1....
6	5YJM	Kd = 0.000000064 M	8W3	C30 H32 Cl N5 O6	CC[C@H](c1....
7	4K2Y	ic50 = 470 uM	ES2	C8 H6 Cl N O	c1cc2c(cc1....
8	5YJP	ic50 = 0.24 uM	8W6	C26 H31 Cl N4 O6	CC[C@H](c1....
9	4K69	ic50 = 0.04 uM	1P9	C22 H22 Br N3 O4	CCC[C@@H](....

50% Homology Family (468)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	1V2V	Ki = 427 uM	BEN	C7 H8 N2	[H]/N=C(c1....
2	2ZDN	-	49U	C21 H30 N4 O2	[H]/N=C(c1....
3	2ZQ1	-	11U	C21 H31 N5 O2	[H]/N=C(/c....
4	1TNH	Ki = 0.43 mM	FBA	C7 H9 F N	c1cc(ccc1C....
5	2BYA	-	BAM	C7 H9 N2	c1ccc(cc1)....
6	6SV0	-	BEN	C7 H8 N2	[H]/N=C(c1....
7	1Y5A	Ki = 1.33 uM	TL2	C20 H22 N4 O4	[H]/N=C(c1....
8	5MNG	-	BAM	C7 H9 N2	c1ccc(cc1)....
9	6SW0	-	BEN	C7 H8 N2	[H]/N=C(c1....
10	2AYW	-	ONO	C28 H31 N5 O6	CC(C)(C)[C....
11	6SV9	-	BEN	C7 H8 N2	[H]/N=C(c1....
12	6SVR	-	BEN	C7 H8 N2	[H]/N=C(c1....
13	1Y3Y	Ki = 2300 nM	UIR	C27 H30 N4 O3	c1cc(ccc1[....
14	3PTB	-	BEN	C7 H8 N2	[H]/N=C(c1....
15	5FXL	-	BEN	C7 H8 N2	[H]/N=C(c1....
16	1O2I	Ki = 0.052 uM	655	C19 H20 N4 O2	c1cc(c(c(c....
17	1GI6	Ki = 1.7 uM	124	C15 H14 N3 O	c1ccc(c(c1....
18	5MON	Kd = 3.3 mM	2AP	C5 H7 N2	c1cc[nH+]c....
19	1O3D	Ki = 0.074 uM	780	C20 H16 N4 O	c1ccc(cc1)....
20	5F6M	-	BEN	C7 H8 N2	[H]/N=C(c1....
21	1Y59	Ki = 1.19 uM	TL1	C20 H22 N4 O4	c1cc(cc(c1....
22	1O39	Ki = 0.074 uM	780	C20 H16 N4 O	c1ccc(cc1)....
23	1QL7	Kd = 15 uM	ZEN	C25 H27 Cl N4 O3 S	c1cc(cc2c1....
24	2ZDM	-	46U	C21 H30 N4 O3	[H]/N=C(/c....
25	3NK8	-	JKZ	C9 H8 F3 N O	C1CC2=C(C1....
26	1C2I	-	BAK	C17 H16 N8 O	c1cc2c(cc1....
27	1C2E	-	BAK	C17 H16 N8 O	c1cc2c(cc1....
28	1G3C	Ki = 1.6 uM	109 FE 109	n/a	n/a
29	1YP9	Ki = 7700 nM	UIZ	C31 H32 N4 O3	[H]/N=C(/c....
30	6B6T	-	BEN	C7 H8 N2	[H]/N=C(c1....
31	1V2L	Ki = 51 uM	BEN	C7 H8 N2	[H]/N=C(c1....
32	1Y3X	Ki = 7315 nM	UIB	C26 H32 N4 O3	CC[C@@H]1[....
33	1OYQ	Ki = 110 nM	T87	C29 H31 N7 O3	[H]/N=C(/c....
34	6SY3	Ki = 497 uM	LXW	C26 H28 N4 O2	c1ccc(cc1)....
35	1XUG	Ki = 0.09 uM	BAB	C17 H19 N8	c1cc2c(cc1....
36	3AAU	Ki = 9 uM	GZC CU	n/a	n/a
37	1C5S	Ki = 1 uM	ESX	C9 H9 N2 S	c1ccc2c(c1....
38	1V2N	Ki = 1.25 uM	BBA	C23 H28 N4 O	c1cc(ccc1C....
39	1XUH	-	BAO	C17 H14 N8 O	c1cc2c(cc1....
40	2G8T	-	MI2	C16 H15 N3	[H]/N=C(c1....
41	2BY8	-	BAM	C7 H9 N2	c1ccc(cc1)....
42	5MN1	Kd = 3.3 mM	2AP	C5 H7 N2	c1cc[nH+]c....
43	1XUK	Ki = 19 uM	BAB	C17 H19 N8	c1cc2c(cc1....
44	1V2J	Ki = 566 uM	BEN	C7 H8 N2	[H]/N=C(c1....
45	5EG4	Ki = 21 nM	5N7	C42 H56 N10 O6 S	[H]/N=C(c1....
46	6SVJ	-	BEN	C7 H8 N2	[H]/N=C(c1....
47	1K1N	Kd = 153 nM	CCR	C29 H39 N5 O7 S	Cc1cc(c(c(....
48	1V2M	Ki = 51 uM	BEN	C7 H8 N2	[H]/N=C(c1....
49	1C1T	-	BAB	C17 H19 N8	c1cc2c(cc1....
50	1G3E	Ki = 4.2 uM	109	C11 H15 N3 O3	C[C@@H](C(....
51	2FX6	Ki = 200 uM	270	C7 H7 N3	C1=CC2=NC(....
52	2ZQ2	Kd = 276 nM	13U	C23 H35 N5 O2	[H]/N=C(/c....
53	1MTW	-	DX9	C26 H28 N4 O3	[H]/N=C(C)....
54	1QA0	-	270	C7 H7 N3	C1=CC2=NC(....
55	1F0T	Ki = 1000 nM	PR1	C19 H19 N5 O4 S2	c1cc2c(cc(....
56	1O3E	Ki = 0.011 uM	696	C21 H17 N3 O	c1ccc(cc1)....
57	1AZ8	-	IN4	C20 H24 N4 O2	[H]/N=C(c1....
58	1Y3W	Ki = 1680 nM	UIP	C26 H30 N4 O3	CC[C@@H]1[....
59	2BY9	-	BAM	C7 H9 N2	c1ccc(cc1)....
60	1QB6	Ki = 870 nM	623	C20 H18 F2 N5 O2	[H]/N=C(/c....
61	1O3N	-	785	C15 H11 F3 N4 O2	c1cc2c(cc1....
62	3GY3	Kd = 2.36 uM	PNT	C19 H24 N4 O2	c1cc(ccc1C....
63	3NKK	Kd = 20 uM	JLZ	C8 H9 F N2	[H]/N=C(/c....
64	3GY4	Kd = 8 uM	PBZ	C7 H10 N3	c1cc(ccc1C....
65	1TNL	Ki = 13.3 mM	TPA	C9 H12 N	c1ccc(cc1)....
66	1C2K	-	ABI	C8 H9 N4	c1cc2c(cc1....
67	1V2K	Ki = 0.65 uM	ZEN	C25 H27 Cl N4 O3 S	c1cc(cc2c1....
68	1O3J	Ki = 0.17 uM	334	C15 H13 Br N4 O	Cc1cc(c(c(....
69	2BZA	Ki = 1.58 mM	ABN	C7 H9 N	c1ccc(cc1)....
70	2ZDK	-	50U	C22 H32 N4 O2	[H]/N=C(/c....
71	5MNQ	Kd = 3.6 uM	J3I	C21 H32 N6 O2	[H]/N=C(N)....
72	1C5P	Ki = 21 uM	BAM	C7 H9 N2	c1ccc(cc1)....
73	1K1M	Kd = 40 nM	FD4	C26 H29 N5 O4 S	CC(=O)N1CC....
74	6B6R	-	BEN	C7 H8 N2	[H]/N=C(c1....
75	1MTS	-	BX3	C27 H30 N4 O3	CC(=N)N1CC....
76	1UTO	Kd = 5.32 mM	PEA	C8 H12 N	c1ccc(cc1)....
77	3AAS	Ki = 31 uM	GUS	C11 H14 N4 O3	[H]/N=C(N)....
78	1TNK	Ki = 32.5 mM	PRA	C9 H13 N	c1ccc(cc1)....
79	3GY7	Kd = 30 uM	BEN	C7 H8 N2	[H]/N=C(c1....
80	1O30	Ki = 0.17 uM	693	C24 H17 F N4 O5	c1ccc(c(c1....
81	2BY6	-	BAM	C7 H9 N2	c1ccc(cc1)....
82	2AGG	-	SIN ALA ALA PRO LYS	n/a	n/a
83	6T5W	Ki = 47 uM	J5K	C20 H25 N5 O2	c1ccc(cc1)....
84	3GY5	Kd = 1.8 uM	BRN	C14 H15 N7	c1cc(ccc1C....
85	1S0R	-	BEN	C7 H8 N2	[H]/N=C(c1....
86	6B6N	-	BEN	C7 H8 N2	[H]/N=C(c1....
87	1C5Q	Ki = 0.44 uM	ESI	C9 H8 I N2 S	c1cc2c(cc(....
88	3T25	-	BEN	C7 H8 N2	[H]/N=C(c1....
89	1GHZ	Ki = 16 uM	120	C13 H12 N5 O	c1cc2c(cc1....
90	1C5U	-	ESP	C8 H8 N3 S	c1cc2cc(sc....
91	1N6X	-	ABN	C7 H9 N	c1ccc(cc1)....
92	1O2V	Ki = 1.4 uM	847	C18 H13 Br N4 O5	c1cc2c(cc1....
93	1V2Q	Ki = 73.62 uM	ANH	C20 H24 N4 O5 S	Cc1ccc(cc1....
94	6SV8	-	BEN	C7 H8 N2	[H]/N=C(c1....
95	1TNG	Ki = 1.17 mM	AMC	C7 H16 N	C1CCC(CC1)....
96	3T26	-	BEN	C7 H8 N2	[H]/N=C(c1....
97	6FID	-	BEN	C7 H8 N2	[H]/N=C(c1....
98	5MNO	Kd = 143 uM	MRZ	C6 H13 N3	[H]/N=C(N)....
99	4YTA	-	BEN	C7 H8 N2	[H]/N=C(c1....
100	1GI4	Ki = 0.065 uM	122	C14 H13 N4 O	c1ccc(c(c1....
101	1BTY	-	BEN	C7 H8 N2	[H]/N=C(c1....
102	1K1P	-	MEL	C22 H31 N5 O4	c1cc(ccc1C....
103	1V2T	Ki = 19.56 uM	ANH	C20 H24 N4 O5 S	Cc1ccc(cc1....
104	1O3G	Ki = 0.011 uM	696	C21 H17 N3 O	c1ccc(cc1)....
105	2TIO	-	BEN	C7 H8 N2	[H]/N=C(c1....
106	1C2D	Ki = 0.0052 uM	BAK	C17 H16 N8 O	c1cc2c(cc1....
107	1C1R	Ki = 0.0235 uM	BAI	C16 H14 N6	c1ccc2c(c1....
108	1C2H	-	BAK	C17 H16 N8 O	c1cc2c(cc1....
109	1O36	Ki = 1.1 uM	607	C24 H19 N5 O5	c1ccc(c(c1....
110	2BY7	-	BAM	C7 H9 N2	c1ccc(cc1)....
111	3GY8	Kd = 1.8 uM	BRN	C14 H15 N7	c1cc(ccc1C....
112	5T3H	-	BEN	C7 H8 N2	[H]/N=C(c1....
113	3ITI	ic50 = 0.27 uM	BRV	C8 H4 Br3 N O4	c1(c(c(c(c....
114	2ZFS	-	12U	C22 H33 N5 O2	[H]/N=C(/c....
115	3GY6	Kd = 1.8 uM	BRN	C14 H15 N7	c1cc(ccc1C....
116	1O3L	-	678	C17 H13 Br N3 O3	c1cc2c(cc1....
117	1BJU	Ki = 6.2 uM	GP6	C14 H13 Cl N4 O	[H]/N=C(c1....
118	1XUJ	Ki < 1 nM	BOZ	C17 H18 N8 O Zn	c1cc2c(cc1....
119	1TX7	Ki = 25 uM	4CM	C8 H11 N2 O2 P	C[P@](=O)(....
120	6B6O	-	BEN	C7 H8 N2	[H]/N=C(c1....
121	3M35	-	M35	C25 H20 F4 N4 O3 S	CS(=O)(=O)....
122	1MTU	-	BX3	C27 H30 N4 O3	CC(=N)N1CC....
123	1O32	Ki = 1.8 uM	801	C13 H11 N5 O	c1cc(c(nc1....
124	3T27	-	BEN	C7 H8 N2	[H]/N=C(c1....
125	5LH4	-	6W4	C32 H34 N6 O2	c1ccc(cc1)....
126	1O2Q	Ki = 0.021 uM	991	C20 H20 Cl N3 O2	c1cc(c(c(c....
127	1K1J	Kd = 28 nM	FD2	C27 H30 N4 O5 S	[H]/N=C(/c....
128	5MNN	-	MRZ	C6 H13 N3	[H]/N=C(N)....
129	1C1S	-	BAB	C17 H19 N8	c1cc2c(cc1....
130	1QBO	Ki = 18 nM	711	C27 H31 N6 O	Cc1[nH]c2c....
131	1V2R	Ki = 278.96 uM	ANH	C20 H24 N4 O5 S	Cc1ccc(cc1....
132	1C5R	-	ESI	C9 H8 I N2 S	c1cc2c(cc(....
133	6SVV	-	BEN	C7 H8 N2	[H]/N=C(c1....
134	1K1O	-	IGN	C21 H38 N6 O4	C1CCC(CC1)....
135	2ZFT	-	10U	C20 H29 N5 O2	c1cc(ccc1C....
136	1TIO	-	BAM	C7 H9 N2	c1ccc(cc1)....
137	1V2U	Ki = 427 uM	BEN	C7 H8 N2	[H]/N=C(c1....
138	1MTV	-	BX3	C27 H30 N4 O3	CC(=N)N1CC....
139	1Y5B	Kd = 1.26 uM	TL3	C20 H22 N4 O4	c1cc(ccc1C....
140	1G36	Ki = 67 nM	R11	C25 H25 N7	[H]/N=C(/c....
141	6SVZ	-	BEN	C7 H8 N2	[H]/N=C(c1....
142	1O2L	-	762	C20 H15 Cl N4 O	c1ccc(cc1)....
143	1TX8	Ki = 1800 uM	AM4	C8 H10 N2 O2 S	CS(=O)(=O)....
144	1GI1	Ki = 3.6 uM	BMZ	C14 H13 N4 O	c1ccc(c(c1....
145	1V2W	Ki = 97.79 uM	ANH	C20 H24 N4 O5 S	Cc1ccc(cc1....
146	6SV6	-	BEN	C7 H8 N2	[H]/N=C(c1....
147	1O3H	Ki = 0.05 uM	907	C16 H14 Br N3 O	Cc1cc(c(c(....
148	4NCY	-	BEN	C7 H8 N2	[H]/N=C(c1....
149	1O35	-	802	C14 H11 F N4 O	c1cc2c(cc1....
150	1PPC	Ki = 0.69 uM	MID	C27 H31 N5 O4 S	[H]/N=C(/c....
151	1TNI	Ki = 0.1 mM	PBN	C10 H15 N	c1ccc(cc1)....
152	6SVU	-	BEN	C7 H8 N2	[H]/N=C(c1....
153	1V2S	Ki = 68 uM	BEN	C7 H8 N2	[H]/N=C(c1....
154	1LQE	Ki = 1507 nM	IMA	C34 H36 N5 O2	C[N+](C)(C....
155	1O2S	Ki = 3.4 uM	CR4	C14 H12 N4 O	c1ccc(c(c1....
156	1O3M	-	785	C15 H11 F3 N4 O2	c1cc2c(cc1....
157	6E5M	-	CYS THR LYS SER ILE PRO PRO GLN CYS	n/a	n/a
158	1O2X	Ki = 1.4 uM	847	C18 H13 Br N4 O5	c1cc2c(cc1....
159	1O38	Ki = 0.15 uM	653	C22 H22 N5 O	c1ccc(cc1)....
160	1G3B	Ki = 1.8 uM	108	C11 H15 N3 O3	C[C@@H](C(....
161	1BJV	Ki = 13 uM	GP8	C20 H18 N4 O2	c1ccc(cc1)....
162	1C1P	-	BAI	C16 H14 N6	c1ccc2c(c1....
163	1C2J	-	BAK	C17 H16 N8 O	c1cc2c(cc1....
164	1C2F	-	BAH	C17 H18 N8 O2	c1cc2c(cc1....
165	3LJJ	Kd = 300 nM	10U	C20 H29 N5 O2	c1cc(ccc1C....
166	1O3I	Ki = 0.05 uM	907	C16 H14 Br N3 O	Cc1cc(c(c(....
167	1Y3V	Ki = 2300 nM	UIR	C27 H30 N4 O3	c1cc(ccc1[....
168	1UTP	Kd = 36 mM	PBN	C10 H15 N	c1ccc(cc1)....
169	2BLV	-	BEN	C7 H8 N2	[H]/N=C(c1....
170	6SVG	-	BEN	C7 H8 N2	[H]/N=C(c1....
171	1TNJ	Ki = 11 mM	PEA	C8 H12 N	c1ccc(cc1)....
172	3GY2	Kd = 1.8 uM	BRN	C14 H15 N7	c1cc(ccc1C....
173	6T0M	Ki = 39 uM	GOZ	C20 H26 N6 O2	c1ccc(cc1)....
174	6B6S	-	BEN	C7 H8 N2	[H]/N=C(c1....
175	1O2P	-	972	C18 H19 Cl N4 O2	CC(C)COc1c....
176	1K1I	Kd = 264 nM	FD1	C26 H28 N4 O5 S	[H]/N=C(c1....
177	1GJ6	Ki = 0.23 uM	132	C21 H17 Cl N3 O	c1ccc(cc1)....
178	3LJO	Kd = 239 nM	11U	C21 H31 N5 O2	[H]/N=C(/c....
179	1O2Y	Ki = 1.4 uM	847	C18 H13 Br N4 O5	c1cc2c(cc1....
180	6SVN	-	BEN	C7 H8 N2	[H]/N=C(c1....
181	1O31	Ki = 1.8 uM	801	C13 H11 N5 O	c1cc(c(nc1....
182	2BY5	-	BAM	C7 H9 N2	c1ccc(cc1)....
183	1XUI	-	BAO	C17 H14 N8 O	c1cc2c(cc1....
184	1C5T	Ki = 80 uM	ESP	C8 H8 N3 S	c1cc2cc(sc....
185	1EB2	Ki = 16 nM	BPO	C28 H28 N4 O3	[H]/N=C(c1....
186	6SVB	-	BEN	C7 H8 N2	[H]/N=C(c1....
187	1O2K	Ki = 0.12 uM	656	C18 H20 N4 O2	CC(C)COc1c....
188	5LGO	-	6VZ	C27 H36 N6 O4	CNC(=O)[C@....
189	1GI0	-	BMZ	C14 H13 N4 O	c1ccc(c(c1....
190	1V2P	Ki = 18.45 uM	ANH	C20 H24 N4 O5 S	Cc1ccc(cc1....
191	1TPS	ic50 = 10 nM	OSL DLE THR ARG GLU LEU YNM VAL	n/a	n/a
192	1N6Y	-	ABN	C7 H9 N	c1ccc(cc1)....
193	1O34	Ki = 1.8 uM	801	C13 H11 N5 O	c1cc(c(nc1....
194	6SUX	-	BEN	C7 H8 N2	[H]/N=C(c1....
195	2ZDL	-	45U	C20 H28 N4 O3	[H]/N=C(/c....
196	1PPH	Ki = 1.2 uM	0ZG	C22 H28 N4 O3 S	[H]/N=C(/c....
197	2G5N	-	23M	C16 H15 N3	[H]/N=C(c1....
198	1G3D	Ki = 2.8 uM	108	C11 H15 N3 O3	C[C@@H](C(....
199	5MOO	Kd = 48.5 mM	WOT	C6 H8 N	c1ccc(cc1)....
200	1O2U	Ki = 1.4 uM	847	C18 H13 Br N4 O5	c1cc2c(cc1....
201	1O2R	-	CR9	C21 H23 F N4 O2	C[C@H]1CCC....
202	3QK1	-	BEN	C7 H8 N2	[H]/N=C(c1....
203	6SVX	-	BEN	C7 H8 N2	[H]/N=C(c1....
204	5MNH	Kd = 20.7 uM	BAM	C7 H9 N2	c1ccc(cc1)....
205	6B6P	-	BEN	C7 H8 N2	[H]/N=C(c1....
206	3T29	-	BEN	C7 H8 N2	[H]/N=C(c1....
207	6EAT	-	CYS THR LYS SER ILE PRO PRO GLN CYS	n/a	n/a
208	1O2H	Ki = 0.068 uM	CR3	C20 H21 N3 O2	c1cc(c(c(c....
209	1QB9	Ki = 36 nM	806	C31 H31 N5 O	[H]/N=C(/C....
210	2BLW	-	BEN	C7 H8 N2	[H]/N=C(c1....
211	1O3B	Ki = 0.074 uM	780	C20 H16 N4 O	c1ccc(cc1)....
212	1O2Z	Ki = 0.78 uM	312	C25 H20 N4 O6	COc1ccccc1....
213	1K1L	Kd = 125 nM	FD3	C24 H27 N5 O3 S	[H]/N=C(/c....
214	1O2O	Ki = 0.44 uM	950	C18 H19 F N4 O2	CC(C)COc1c....
215	1C1Q	-	BAI	C16 H14 N6	c1ccc2c(c1....
216	1F0U	Ki = 69 nM	RPR	C27 H30 N4 O3	C[C@H]([C@....
217	1C2G	-	BAH	C17 H18 N8 O2	c1cc2c(cc1....
218	1O37	Ki = 0.15 uM	653	C22 H22 N5 O	c1ccc(cc1)....
219	1O3F	Ki = 0.011 uM	696	C21 H17 N3 O	c1ccc(cc1)....
220	1JIR	-	AML	C5 H13 N	CCCCCN
221	1O2N	Ki = 0.81 uM	762	C20 H15 Cl N4 O	c1ccc(cc1)....
222	1O3O	-	785	C15 H11 F3 N4 O2	c1cc2c(cc1....
223	1CE5	Ki = 18.4 uM	BEN	C7 H8 N2	[H]/N=C(c1....
224	5MNB	Kd = 3.3 mM	2AP	C5 H7 N2	c1cc[nH+]c....
225	6DZF	-	BEN	C7 H8 N2	[H]/N=C(c1....
226	5LH8	-	6WH	C31 H38 N6 O3	COc1cc(ccc....
227	2ZHD	-	12U	C22 H33 N5 O2	[H]/N=C(/c....
228	1O2J	Ki = 0.12 uM	656	C18 H20 N4 O2	CC(C)COc1c....
229	1AQ7	ic50 = 0.9 uM	34H DIL XPR AG2	n/a	n/a
230	1O3K	Ki = 0.17 uM	334	C15 H13 Br N4 O	Cc1cc(c(c(....
231	2G5V	-	22M	C16 H15 N3	[H]/N=C(c1....
232	1Y5U	Kd = 0.22 uM	TL4	C20 H22 N4 O4	c1cc(cc(c1....
233	6SVI	-	BEN	C7 H8 N2	[H]/N=C(c1....
234	1J8A	-	BEN	C7 H8 N2	[H]/N=C(c1....
235	6B6Q	-	BEN	C7 H8 N2	[H]/N=C(c1....
236	1QB1	Ki = 170 nM	974	C28 H27 F2 N6 O5	Cn1ccnc1c2....
237	1O2W	Ki = 1.4 uM	847	C18 H13 Br N4 O5	c1cc2c(cc1....
238	1XUF	Ki = 0.09 uM	BAZ	C17 H16 N8 Zn	[H]/N=C(c1....
239	1QBN	Ki = 1400 nM	688	C22 H17 N5 O5	c1cc(cc(c1....
240	1O33	Ki = 1.8 uM	801	C13 H11 N5 O	c1cc(c(nc1....
241	1V2O	Ki = 18.45 uM	ANH	C20 H24 N4 O5 S	Cc1ccc(cc1....
242	1C1N	-	BAM	C7 H9 N2	c1ccc(cc1)....
243	1UTN	Kd = 0.321 mM	ABN	C7 H9 N	c1ccc(cc1)....
244	6SVD	-	BEN	C7 H8 N2	[H]/N=C(c1....
245	6T0P	Ki = 62 uM	M6Q	C20 H25 N5 O2	c1ccc(cc1)....
246	6SVW	-	BEN	C7 H8 N2	[H]/N=C(c1....
247	4NA8	Ki = 1.5 nM	1T6	C31 H28 N4 O3	[H]/N=C(/c....
248	5WB6	Ki = 0.02 nM	9ZM	C31 H26 Cl F N10 O4	COC(=O)Nc1....
249	5Q0H	Ki = 12 nM	9F1	C27 H26 Cl F2 N5 O4	Cc1cc(c(c(....
250	5TKT	Ki = 3.2 nM	7DS	C28 H26 Cl N9 O4	COC(=O)Nc1....
251	4CRG	-	J4X	C22 H18 N6 O	[H]/N=C(c1....
252	5EXL	Ki = 3.7 nM	5SS	C28 H31 N5 O2	c1ccc(cc1)....
253	6TS5	ic50 = 0.003 uM	NW2	C27 H29 N O5	CC(C)c1cc(....
254	6VLU	Ki = 149.1 nM	R2Y	C27 H37 F2 N5 O2	CC(C)C[C@H....
255	5E2O	Ki = 2 nM	5JM	C26 H21 Cl N6 O4	c1ccc(cc1)....
256	4CRB	Ki = 0.027 uM	7P0	C28 H24 Cl N7 O4	c1ccc(cc1)....
257	6TS6	ic50 = 0.004 uM	NW5	C27 H26 N2 O4	CC(C)(C#N)....
258	5TKS	Ki = 68 nM	7DL	C29 H30 Cl2 N8 O3	COC(=O)Nc1....
259	5QTY	Ki = 2.5 nM	QLJ	C32 H33 Cl N8 O5	CCOC(=O)[C....
260	5Q0E	Ki = 0.69 nM	9FD	C29 H30 Cl N9 O4	C[C@H]1CCC....
261	4CRE	-	MVN	C10 H8 Cl N O	CC1=CC(=O)....
262	4CRA	Ki = 0.06 uM	XJ8	C29 H25 N5 O4	c1ccc(cc1)....
263	1ZHR	-	BEN	C7 H8 N2	[H]/N=C(c1....
264	5E2P	Ki = 1.6 nM	7P0	C28 H24 Cl N7 O4	c1ccc(cc1)....
265	3BG8	-	BEN	C7 H8 N2	[H]/N=C(c1....
266	4X6P	Ki = 5 nM	3YU	C28 H23 Cl N10 O	c1ccc(cc1)....
267	5Q0D	Ki = 1 nM	9EY	C27 H26 Cl N9 O4	COC(=O)Nc1....
268	4X6O	Ki = 1.9 nM	3Y4	C29 H26 Cl2 N8 O3	COC(=O)Nc1....
269	5EXN	Ki = 23 nM	5SU	C31 H26 Cl N7 O3	COC(=O)Nc1....
270	4CR9	Ki = 80 uM	OTW	C10 H11 N3	Cc1cc(nc2c....
271	6TS4	ic50 = 2.8 uM	J7B	C22 H20 N2 O3	c1ccc(c(c1....
272	6USY	Ki = 0.0004 uM	QGS	C28 H28 N2 O4	CC(C)c1cc(....
273	4CRC	Ki = 0.0019 uM	OTM	C26 H21 Cl N10 O2	c1ccc(cc1)....
274	5QCL	Ki = 11 nM	BUY	C27 H21 Cl N6 O4	c1ccc2c(c1....
275	1ZHM	-	BEN	C7 H8 N2	[H]/N=C(c1....
276	5EXM	Ki = 6.3 nM	5ST	C29 H34 N4 O3	COC(=O)Nc1....
277	4TY7	Ki = 0.3 nM	39F	C26 H30 Cl N7 O	c1ccc(cc1)....
278	5QTT	Ki = 3.4 nM	QEY	C30 H29 Cl F N7 O4	C[C@@H]1CC....
279	6W50	Ki = 0.3 nM	SWP	C31 H29 Cl F2 N4 O4	C[C@@H]1CC....
280	5QQP	Ki = 5.3 nM	NR7	C29 H30 Cl N5 O4	COC(=O)Nc1....
281	6C0S	Ki = 89 nM	EEJ	C31 H31 Cl2 N9 O4	CC(=O)N1CC....
282	4CRF	Ki = 0.0005 uM	R9B	C29 H23 Cl N4 O5	c1ccc(cc1)....
283	5QCN	Ki = 6 nM	BVM	C36 H34 Cl N7 O7	CCOC(=O)[C....
284	6VLV	Ki = 5.33 nM	R3A	C19 H25 Cl N6 O4 S	[H]/N=C(/N....
285	5QTV	Ki = 1.1 nM	QLS	C28 H27 Cl F3 N9 O3	COC(=O)Nc1....
286	4X6M	Ki = 5.8 nM	3Y3	C27 H26 Cl2 N8 O	c1ccc(cc1)....
287	5QTW	Ki = 0.46 nM	QLM	C29 H30 Cl N9 O5	COC(=O)[C@....
288	4CR5	Ki = 70 uM	0TU	C9 H6 Cl N O	c1cc2c(cc1....
289	4CRD	Ki = 0.08 uM	OTJ	C22 H22 Cl2 N8 O3	COC(=O)Nc1....
290	5QCM	Ki = 110 nM	BVJ	C28 H23 Cl F N7 O4	COC(=O)Nc1....
291	5NB6	ic50 = 0.5 uM	8S2	C22 H21 F3 N6 O4	c1ccc2c(c1....
292	6FTY	-	E7H	C20 H24 N4 O2	c1cc2c(cc(....
293	6QMR	ic50 = 0.012 uM	J6T	C23 H23 N O4	c1ccc(c(c1....
294	5NAW	ic50 = 0.05 uM	8RZ	C23 H20 F3 N5 O4	c1ccc2c(c1....
295	5MT0	Kd ~ 500 uM	QJS	C19 H15 F N2 O3	c1ccc(cc1)....
296	6FUG	Kd = 50 uM	E85	C18 H17 N7 O	c1cc(cc(c1....
297	5NAR	ic50 = 0.5 uM	8RW	C22 H20 F3 N5 O4	c1ccc2c(c1....
298	5FBE	ic50 = 14 uM	5W5	C22 H22 F3 N3 O5	COC(=O)c1c....
299	6FUH	Kd = 170 uM	E88	C20 H23 N5 O2	CC(C)[C@@H....
300	5FBI	Kd = 1600 uM	5WD	C17 H14 N2 O4	c1cc(cc(c1....
301	6QMT	ic50 = 0.12 uM	J7B	C22 H20 N2 O3	c1ccc(c(c1....
302	6FUT	Kd = 20 uM	E82	C24 H24 N2 O	c1ccc2c(c1....
303	6FUJ	ic50 = 120 uM	E8B	C18 H22 N2 O	CC(C)CC(=O....
304	5FCK	Kd = 0.006 uM	5WC	C23 H22 Cl F N6 O3	C[C@H](c1c....
305	5NB7	ic50 = 0.006 uM	8NQ	C21 H19 Br N6 O3	c1ccc2c(c1....
306	5MT4	Kd ~ 500 uM	M7O	C15 H14 N2 O3	c1ccc(cc1)....
307	5NBA	ic50 = 0.05 uM	8S5	C22 H19 F4 N5 O4	c1ccc2c(c1....
308	6FUI	Kd = 35 uM	E7W	C22 H25 N5 O2	c1ccc2c(c1....
309	6FTZ	Kd = 1000 uM	E7E	C17 H16 N4 O2	c1cc(cc(c1....
310	6A8N	Ki = 6.8 nM	CYS PRO ALA TYR SER ARG TYR ILE GLY CYS	n/a	n/a
311	1ELC	-	0Z3	C26 H34 F3 N4 O3	CC(C)c1ccc....
312	1ELD	Ki = 0.2 uM	0Z0	C21 H19 F6 N3 O3	NULL
313	7EST	-	0Z2	C18 H21 F6 N3 O3	CC(C)C[C@@....
314	2BD4	-	LYS TYR PRO PHE VAL GLU PRO ILE	n/a	n/a
315	1ELB	Ki = 70 nM	0Z4	C23 H36 F3 N4 O3	CC(C)C[C@@....
316	6TH7	ic50 = 1.18 nM	O4Q 5XU ABA ILE ABA VAL N9K PHA AA4	n/a	n/a
317	1ELE	Ki = 0.14 uM	0QN	C17 H19 F6 N3 O3	NULL
318	4GVU	ic50 = 30 nM	6NA GLN THR DBU GLJ PHE YNM VAL	n/a	n/a
319	1NES	-	ACE ALA PRO ALA	n/a	n/a
320	2BDB	-	ALA ALA	n/a	n/a
321	1BMA	Ki = 26 uM	0QH	C27 H36 F3 N4 O3	NULL
322	2EST	-	2Z5	C18 H23 F6 N4 O3	NULL
323	1ELA	Ki = 0.44 uM	0Z1	C22 H32 F3 N4 O3	CC(C)c1ccc....
324	1QR3	ic50 = 0.26 uM	ALQ CIR THR DBU GLJ PHE TYJ VAL	n/a	n/a
325	1BIT	-	BEN	C7 H8 N2	[H]/N=C(c1....
326	1HJ8	-	BAM	C7 H9 N2	c1ccc(cc1)....
327	1UTL	Ka = 293 M^-1	PRA	C9 H13 N	c1ccc(cc1)....
328	2TBS	-	BEN	C7 H8 N2	[H]/N=C(c1....
329	2ZPQ	-	BEN	C7 H8 N2	[H]/N=C(c1....
330	1UTJ	Kd = 0.144 mM	ABN	C7 H9 N	c1ccc(cc1)....
331	1UTM	Ka = 243 M^-1	PEA	C8 H12 N	c1ccc(cc1)....
332	1MBQ	-	BEN	C7 H8 N2	[H]/N=C(c1....
333	2ZPS	-	BEN	C7 H8 N2	[H]/N=C(c1....
334	2ZPR	-	BEN	C7 H8 N2	[H]/N=C(c1....
335	1L2E	-	BEN	C7 H8 N2	[H]/N=C(c1....
336	3VFE	-	0HL	C26 H26 N4 O4 S3	[H]/N=C(c1....
337	6QH9	-	J3B	C13 H16 N4 O2	[H]/N=C(/c....
338	6QFH	ic50 = 1.38 uM	J08	C23 H22 N6 O	[H]/N=C(/c....
339	6QHB	-	J2W	C15 H15 N3 O3	[H]/N=C(/c....
340	6SKC	-	BEN	C7 H8 N2	[H]/N=C(c1....
341	1LO6	-	BEN	C7 H8 N2	[H]/N=C(c1....
342	6QFF	ic50 = 2.04 uM	J08	C23 H22 N6 O	[H]/N=C(/c....
343	6QHC	-	135	C14 H13 N3 O2	[H]/N=C(c1....
344	4D8N	ic50 = 1.8 uM	0HM	C24 H24 N5 O2	c1ccc(cc1)....
345	6QFG	ic50 = 3.01 uM	J08	C23 H22 N6 O	[H]/N=C(/c....
346	6QHA	-	J2Q	C16 H17 N3 O3	[H]/N=C(/c....
347	3P8G	-	BEN	C7 H8 N2	[H]/N=C(c1....
348	1EAX	-	BEN	C7 H8 N2	[H]/N=C(c1....
349	2GV6	Ki = 0.046 uM	730	C28 H35 N7 O3 S	[H]/N=C(c1....
350	4R0I	Ki = 0.3 uM	3KM	C27 H33 N5 O4 S	[H]/N=C(c1....
351	4O97	Ki = 3 nM	NTX	C29 H34 N6 O3	[H]/N=C(N)....
352	2GV7	Ki = 0.014 uM	672	C36 H54 N8 O4 S	[H]/N=C(c1....
353	4O9V	Ki = 10 nM	NT4	C27 H30 N6 O3	[H]/N=C(N)....
354	1IAU	Ki = 80 nM	ACE ILE GLU PRO ASJ	n/a	n/a
355	1ANE	-	BEN	C7 H8 N2	[H]/N=C(c1....
356	1J16	Ki = 143 uM	BEN	C7 H8 N2	[H]/N=C(c1....
357	1J14	Ki = 32.2 uM	BEN	C7 H8 N2	[H]/N=C(c1....
358	1BRA	Ki = 15000 uM	BEN	C7 H8 N2	[H]/N=C(c1....
359	1J15	Ki = 143 uM	BEN	C7 H8 N2	[H]/N=C(c1....
360	1TRM	-	BEN	C7 H8 N2	[H]/N=C(c1....
361	1J17	Ki = 6.05 uM	ZEN	C25 H27 Cl N4 O3 S	c1cc(cc2c1....
362	1ANC	-	BEN	C7 H8 N2	[H]/N=C(c1....
363	1QL9	Ki = 4.45 uM	ZEN	C25 H27 Cl N4 O3 S	c1cc(cc2c1....
364	1DPO	-	BEN	C7 H8 N2	[H]/N=C(c1....
365	1AND	-	BEN	C7 H8 N2	[H]/N=C(c1....
366	1W0Z	Ki = 21 nM	SI1	C18 H29 N5 O5 S	[H]/N=C(c1....
367	4ZHL	Kd = 0.0147 uM	CYS PRO ALA TYR SER ARG TYR ILE GLY CYS	n/a	n/a
368	2VIV	ic50 = 520 nM	VG2	C22 H28 Cl N3 O2	Cc1cc(cc(c....
369	1SC8	Ki = 0.036 uM	2IN	C20 H25 N5 O5 S	c1ccc(cc1)....
370	1OWE	Ki = 0.631 uM	675	C18 H15 N3 O	[H]/N=C(/c....
371	4X1Q	-	CYS PRO ALA TYR SER ARG TYR LEU ASP CYS	n/a	n/a
372	2VIP	ic50 = 5.2 uM	L1R	C18 H20 Cl2 N2 O3	CC(C)Oc1cc....
373	5ZAF	Ki = 166 nM	28I	C16 H21 N7 O2	[H]/N=C(N)....
374	1SQT	Ki = 0.63 uM	UI3	C16 H16 N4 O3 S	[H]/N=C(/c....
375	1W13	Ki = 2 nM	SM1	C21 H28 N6 O5 S	[H]/N=C(/N....
376	1OWH	Ki = 40 nM	239	C19 H18 N4 O	[H]/N=C(/c....
377	1EJN	Ki = 2.4 uM	AGB	C19 H27 N5 O	[H]/N=C(/N....
378	4ZHM	Kd = 0.00081 uM	MRZ CYS PRO ALA TYR SER ALA TYR ILE GLY CYS	n/a	n/a
379	2VIN	ic50 > 1 mM	505	C11 H17 N O	Cc1cccc(c1....
380	5ZA8	Ki = 508 nM	27I	C16 H23 N9 O	[H]/N=C(/N....
381	5ZA7	Ki = 1356 nM	HMX	C12 H18 Cl N7 O	C1CCCN(CC1....
382	4X0W	-	MRZ CYS PRO ALA TYR SER DAL TYR LEU ASP CYS	n/a	n/a
383	1U6Q	-	745	C20 H18 N2	[H]/N=C(/c....
384	5ZA9	Ki = 183 nM	50I	C20 H23 N7 O2	[H]/N=C(/N....
385	2VIQ	ic50 = 1.3 uM	D55	C21 H28 N2 O4	CCOc1ccc(c....
386	4X1P	-	CYS PRO ALA TYR SER DAL TYR LEU ASP CYS MRZ	n/a	n/a
387	6NMB	Ki = 2.01 mM	AMH	C8 H15 N O2	C1CC(CCC1C....
388	5ZAG	Ki = 108 nM	94I	C16 H21 N9 O	[H]/N=C(N)....
389	5ZC5	Ki = 88 nM	09I	C20 H22 F N7 O2	[H]/N=C(/N....
390	1VJ9	Ki = 0.028 uM	5IN	C28 H33 N5 O6 S	c1ccc(cc1)....
391	1F5K	Ki = 180 uM	BAM	C7 H9 N2	c1ccc(cc1)....
392	5ZAE	Ki = 156 nM	EAU	C16 H21 N7 O2	[H]/N=C(/N....
393	1OWD	Ki = 6.3 nM	497	C23 H24 N4 O	CC[C@H]1CN....
394	2VNT	Ki = 9.9 nM	QGG	C15 H16 Cl N5 O4 S	c1cc2c(cc1....
395	2VIO	ic50 = 40 uM	L1O	C9 H9 Cl2 N O3	c1c(cc(c(c....
396	1F5L	Ki = 5.3 uM	AMR	C6 H8 Cl N7 O	c1(c(nc(c(....
397	5ZAJ	Ki = 42 nM	32I	C18 H25 N9 O3	[H]/N=C(/N....
398	2R2W	Ki = 34 uM	4PG	C15 H15 N3 O	[H]/N=C(/N....
399	2VIW	ic50 = 72 nM	D56	C24 H32 Cl N3 O3	CCOc1c(cc(....
400	1W11	Ki = 6 nM	SK1	C21 H27 N5 O5 S	[H]/N=C(c1....
401	1SQA	Ki = 0.00062 uM	UI1	C23 H21 N7 O	c1cnc(nc1)....
402	1VJA	Ki = 0.02 uM	7IN	C21 H27 N5 O6 S	c1ccc(cc1)....
403	1SQO	Ki = 0.035 uM	UI2	C15 H13 N5	c1cc2ccc(c....
404	1GDN	-	GLY ALA LYS	n/a	n/a
405	1FY5	-	GLY ALA LYS	n/a	n/a
406	1FY4	-	GLY ALA ARG	n/a	n/a
407	1PQ8	-	GLY GLY ARG	n/a	n/a
408	1FN8	-	GLY ALA ARG	n/a	n/a
409	1PQ7	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
410	1PQ5	-	ARG	C6 H15 N4 O2	C(C[C@@H](....
411	1H4W	Ki = 22 uM	BEN	C7 H8 N2	[H]/N=C(c1....
412	5TP0	Ki = 3.66 uM	BRN	C14 H15 N7	c1cc(ccc1C....
413	1T32	Ki = 38 nM	OHH	C40 H35 N2 O6 P	CN(C1CCN(C....
414	4K60	ic50 = 570 uM	1P8	C8 H6 Br N O	c1cc2c(cc1....
415	1T31	Ki = 2.3 nM	OHH	C40 H35 N2 O6 P	CN(C1CCN(C....
416	4K5Z	-	1P7	C8 H6 Cl N O	c1cc2c(cc1....
417	3N7O	Ki = 72 nM	N7O	C19 H15 Cl F2 N O3 P S	C[P@@](=O)....
418	3S0N	ic50 = 180 nM	0BB	C21 H20 N2 O3 S	Cc1cccc2c1....
419	5YJM	Kd = 0.000000064 M	8W3	C30 H32 Cl N5 O6	CC[C@H](c1....
420	4K2Y	ic50 = 470 uM	ES2	C8 H6 Cl N O	c1cc2c(cc1....
421	5YJP	ic50 = 0.24 uM	8W6	C26 H31 Cl N4 O6	CC[C@H](c1....
422	4K69	ic50 = 0.04 uM	1P9	C22 H22 Br N3 O4	CCC[C@@H](....
423	1OSS	Ki = 16.4 uM	BEN	C7 H8 N2	[H]/N=C(c1....
424	3BEU	-	BEN	C7 H8 N2	[H]/N=C(c1....
425	5XWL	-	ACE THR ARG GLU	n/a	n/a
426	5XWJ	-	ACE THR ARG GLU	n/a	n/a
427	1V6D	-	PRO ASP AIB LEU AIB LEU ALA TBF NME	n/a	n/a
428	1YF4	Ki = 5 nM	CYS TYR PHE GLN ASN CYS PRO ARG GLY NH2	n/a	n/a
429	1S6H	-	4BZ	C8 H10 N2 O	[H]/N=C(c1....
430	1S83	-	4HA	C4 H12 N O	C(CCO)C[NH....
431	1S5S	-	PG3	C4 H12 N3 O	C(CNC(=[NH....
432	5A09	ic50 = 3.5 nM	JJD	C23 H18 F3 N3 O4	CC1=C([C@H....
433	5A8X	ic50 = 6.5 nM	IUY	C24 H20 F3 N4 O2	CCOC(=O)C1....
434	5ABW	ic50 = 17 nM	WQQ	C26 H24 Cl N3 O5 S	Cc1c(c(on1....
435	5A8Y	ic50 = 0.17 nM	VBM	C23 H16 F3 N7 O2	CC1=C([C@H....
436	5A0B	ic50 = 5 nM	JJX	C29 H29 F3 N6 O2	CC1=C([C@H....
437	5A8Z	ic50 = 28 nM	IUL	C21 H16 F3 N5 O2	CN1CC2=C([....
438	3Q77	ic50 = 6 nM	2HY	C22 H18 F3 N3 O4	CC1=C([C@H....
439	5A0C	ic50 = 0.54 nM	JJV	C21 H15 F3 N4 O3 S	CC1=C([C@H....
440	5A0A	Ki = 15 nM	JJS	C20 H15 F3 N4 O2	CC1=C([C@H....
441	2AIQ	-	BEN	C7 H8 N2	[H]/N=C(c1....
442	2OQ5	-	BEN	C7 H8 N2	[H]/N=C(c1....
443	5F03	-	5TA	C24 H20 Cl N3 O3	c1cc(cc(c1....
444	2ZA5	Ki = 3.7 nM	2FF	C26 H24 N2 O3	c1ccc(cc1)....
445	2FPZ	Ki = 110 uM	270	C7 H7 N3	C1=CC2=NC(....
446	2BM2	Ki = 15 nM	PM2	C26 H29 N3 O	c1ccc(cc1)....
447	3V7T	Ki = 62 nM	0GX	C23 H28 Br F N2 O2 S	CCCOc1c(c(....
448	2ZEB	-	11M	C23 H24 N2 O2 S2	CSc1c2cccc....
449	4A6L	Ki = 10 nM	P43	C25 H23 F N2 O2	c1ccc(c(c1....
450	2ZEC	-	11N	C22 H24 N2 O2	c1ccc(cc1)....
451	4NFE	-	BEN	C7 H8 N2	[H]/N=C(c1....
452	2ANW	-	BAM	C7 H9 N2	c1ccc(cc1)....
453	2ANY	-	BAM	C7 H9 N2	c1ccc(cc1)....
454	5TJX	-	GBT	C29 H33 N7 O3	Cc1c2c(cc(....
455	6O1S	-	7SD	C23 H25 N7 O	Cc1cc(nc(c....
456	6T7P	Ki = 0.97 uM	MU8	C26 H24 Cl N3 O3	c1ccc(cc1)....
457	6QFE	ic50 = 0.08 uM	J08	C23 H22 N6 O	[H]/N=C(/c....
458	6B74	-	BEN	C7 H8 N2	[H]/N=C(c1....
459	1A0J	-	BEN	C7 H8 N2	[H]/N=C(c1....
460	2ZGJ	-	SER SER GLY LYS VAL PRO LEU SER	n/a	n/a
461	2ZGH	-	SER SER GLY LYS VAL PRO LEU	n/a	n/a
462	2BDG	-	PBZ	C7 H10 N3	c1cc(ccc1C....
463	5Y9L	ic50 = 1.9 uM	8R3	C24 H28 Cl N5 O5	CN(C)/N=C1....
464	5YJK	ic50 = 0.82 uM	8VX	C24 H30 Cl N5 O5 S	CN(C)/N=C1....
465	5FAH	ic50 = 0.7 uM	5VT	C26 H29 N3 O3	COc1ccc(cc....
466	3TJV	-	PRO THR SER TYR ALA GLY ASP ASP SER GLY	n/a	n/a
467	6AHS	ic50 = 1.5 uM	9YO	C19 H18 Cl N3 O2 S	Cc1ccc2c(c....
468	5ZFI	ic50 = 1.2 uM	9C9	C26 H29 Cl2 N7 O2	Cn1cc(cn1)....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: 1P7; Similar ligands found: 2

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	1P7	1	1
2	3Z8	0.5	0.794118

Similar Ligands (3D)

Ligand no: 1; Ligand: 1P7; Similar ligands found: 1222

No:	Ligand	Similarity coefficient
1	5B1	1.0000
2	CWS	0.9840
3	KUF	0.9836
4	JB5	0.9804
5	ES5	0.9791
6	GTQ	0.9789
7	2AQ	0.9779
8	54G	0.9779
9	2HQ	0.9778
10	4FS	0.9777
11	COU	0.9771
12	03V	0.9770
13	ES9	0.9768
14	5M0	0.9766
15	OCH	0.9764
16	JAE	0.9761
17	SX1	0.9761
18	5RG	0.9757
19	RM1	0.9751
20	11S	0.9747
21	H4N	0.9742
22	5MK	0.9737
23	0P6	0.9736
24	FK1	0.9735
25	5H1	0.9733
26	H42	0.9732
27	5MB	0.9730
28	8CM	0.9725
29	BZX	0.9722
30	5MI	0.9721
31	86J	0.9710
32	14O	0.9710
33	KT7	0.9704
34	F60	0.9703
35	8NY	0.9689
36	6AI	0.9688
37	I3A	0.9684
38	5OB	0.9683
39	Q88	0.9683
40	6CS	0.9682
41	2K4	0.9680
42	BZ3	0.9675
43	BGC	0.9675
44	5XC	0.9671
45	7HQ	0.9666
46	CWM	0.9656
47	GCS	0.9650
48	0RW	0.9649
49	HLR	0.9643
50	9MG	0.9643
51	4CS	0.9641
52	G3F	0.9634
53	8GC	0.9631
54	6M9	0.9626
55	42A	0.9619
56	F05	0.9619
57	LZM	0.9614
58	9EW	0.9610
59	J9T	0.9610
60	N8Y	0.9610
61	5WV	0.9603
62	2EC	0.9600
63	QUZ	0.9599
64	SVN	0.9598
65	GLC	0.9596
66	KKN	0.9595
67	N5J	0.9594
68	F9Y	0.9593
69	ES0	0.9589
70	3Z7	0.9588
71	JPZ	0.9585
72	3NT	0.9584
73	GAB	0.9584
74	2D0	0.9580
75	1LQ	0.9579
76	8S0	0.9578
77	MRW	0.9573
78	9TZ	0.9573
79	4M4	0.9572
80	MR1	0.9569
81	DMD	0.9565
82	4ZC	0.9563
83	7B4	0.9563
84	G3E	0.9562
85	8WT	0.9561
86	MEW	0.9560
87	NPY	0.9558
88	1SQ	0.9557
89	1NP	0.9555
90	5IQ	0.9555
91	MWP	0.9555
92	NMJ	0.9554
93	Q24	0.9552
94	5SG	0.9551
95	7W4	0.9548
96	ISN	0.9547
97	3PF	0.9547
98	4YS	0.9546
99	6M4	0.9546
100	SAL	0.9544
101	JBH	0.9543
102	A7W	0.9542
103	1LM	0.9542
104	XQ0	0.9541
105	WCE	0.9541
106	PE0	0.9540
107	AZ8	0.9540
108	VGD	0.9538
109	OVV	0.9538
110	ES1	0.9537
111	5Q0	0.9534
112	DIN	0.9534
113	3BZ	0.9533
114	5HN	0.9530
115	3AB	0.9528
116	ES7	0.9528
117	O72	0.9528
118	AQO	0.9528
119	EA1	0.9528
120	3ID	0.9528
121	M5K	0.9527
122	LT2	0.9527
123	1DW	0.9527
124	BRT	0.9526
125	HQY	0.9525
126	53C	0.9525
127	ABV	0.9524
128	2CQ	0.9524
129	36R	0.9523
130	3HB	0.9519
131	ADZ	0.9517
132	AZA	0.9515
133	KJU	0.9511
134	1XM	0.9509
135	1P8	0.9506
136	CLW	0.9505
137	9DG	0.9503
138	AHR	0.9503
139	3F0	0.9501
140	PZI	0.9501
141	BHO	0.9497
142	V55	0.9495
143	4HC	0.9492
144	BOA	0.9491
145	YH7	0.9488
146	GUN	0.9485
147	25W	0.9485
148	24W	0.9483
149	QWN	0.9481
150	4JT	0.9480
151	PXL	0.9478
152	ES2	0.9477
153	5QY	0.9475
154	G6D	0.9473
155	AJ2	0.9472
156	KDV	0.9470
157	ISZ	0.9469
158	JA8	0.9467
159	XAN	0.9466
160	JBE	0.9466
161	N2I	0.9466
162	BCP	0.9463
163	1WG	0.9458
164	2BG	0.9457
165	IGA	0.9457
166	4NC	0.9456
167	F0J	0.9455
168	HH8	0.9454
169	150	0.9453
170	D48	0.9453
171	B60	0.9452
172	MUA	0.9451
173	MAQ	0.9448
174	XQG	0.9448
175	4XH	0.9447
176	3U4	0.9445
177	R8V	0.9445
178	GAL	0.9445
179	ET2	0.9444
180	A2F	0.9444
181	5VM	0.9443
182	7VS	0.9443
183	QXW	0.9442
184	2AK	0.9441
185	3HA	0.9441
186	J5I	0.9439
187	TTL	0.9439
188	5JC	0.9435
189	FDB	0.9435
190	6GU	0.9434
191	MCT	0.9430
192	JBK	0.9429
193	SE2	0.9429
194	TH7	0.9429
195	DBX	0.9428
196	3M0	0.9427
197	2MI	0.9427
198	M0Q	0.9427
199	6AP	0.9425
200	OVM	0.9424
201	3MB	0.9424
202	NIZ	0.9422
203	MZG	0.9422
204	XIY	0.9422
205	HPA	0.9421
206	OAA	0.9421
207	FBB	0.9420
208	AZG	0.9420
209	BE2	0.9420
210	DHB	0.9419
211	12Q	0.9418
212	MWJ	0.9418
213	AJV	0.9415
214	G5V	0.9415
215	I1E	0.9414
216	DX4	0.9414
217	JND	0.9414
218	K2T	0.9413
219	0CU	0.9413
220	DIU	0.9412
221	8ZE	0.9412
222	DBH	0.9410
223	1XN	0.9409
224	AX7	0.9409
225	M1A	0.9406
226	NDM	0.9406
227	ADE	0.9405
228	0JD	0.9404
229	CTL	0.9404
230	E7Z	0.9403
231	UAN	0.9403
232	4YO	0.9402
233	ES6	0.9402
234	FE DB1	0.9400
235	7W1	0.9398
236	270	0.9397
237	32X	0.9397
238	5GU	0.9397
239	CFI	0.9397
240	KOJ	0.9396
241	HMH	0.9394
242	INO	0.9394
243	MWM	0.9394
244	F4Z	0.9394
245	SKA	0.9393
246	BTE	0.9392
247	IV2	0.9392
248	IND	0.9392
249	BEZ	0.9392
250	2YU	0.9391
251	HA5	0.9391
252	0TU	0.9390
253	1PT	0.9390
254	4SV	0.9389
255	45C	0.9388
256	UNC	0.9388
257	4JP	0.9388
258	HLZ	0.9386
259	HQT	0.9383
260	27Y	0.9380
261	KJH	0.9378
262	C2U	0.9378
263	BEN	0.9378
264	14J	0.9377
265	MQN	0.9377
266	BR9	0.9377
267	290	0.9376
268	RSF	0.9376
269	9DA	0.9375
270	141	0.9375
271	4ZE	0.9375
272	BAM	0.9375
273	TSS	0.9375
274	BZI	0.9373
275	3DO	0.9372
276	APZ	0.9371
277	3R6	0.9371
278	0CT	0.9371
279	4HO	0.9370
280	2CK	0.9369
281	BZF	0.9369
282	XYP	0.9367
283	NOJ	0.9366
284	0FO	0.9365
285	6MP	0.9364
286	4A3	0.9364
287	4XR	0.9364
288	67N	0.9363
289	NCA	0.9362
290	4JQ	0.9360
291	DEN	0.9359
292	5RN	0.9358
293	XX2	0.9357
294	TC7	0.9357
295	9HX	0.9355
296	NNO	0.9355
297	YCP	0.9355
298	EQT	0.9354
299	P9P	0.9353
300	LZ1	0.9352
301	MYJ	0.9351
302	4JJ	0.9349
303	2HO	0.9348
304	R8S	0.9348
305	MLT	0.9348
306	6VD	0.9346
307	HH5	0.9345
308	M1Q	0.9345
309	4CL	0.9344
310	9R5	0.9344
311	CFP	0.9343
312	NBZ	0.9343
313	6PC	0.9343
314	FOT	0.9342
315	EYK	0.9342
316	0R1	0.9339
317	1M2	0.9337
318	4HM	0.9336
319	KBB	0.9335
320	MPI	0.9335
321	2AC	0.9333
322	TH0	0.9333
323	5QX	0.9332
324	FHB	0.9332
325	XBZ	0.9331
326	ICO	0.9328
327	XHP	0.9325
328	QOS	0.9325
329	OTW	0.9324
330	DHQ	0.9324
331	XM0	0.9324
332	HT4	0.9322
333	NIO	0.9322
334	FQI	0.9319
335	93K	0.9318
336	4Z4	0.9318
337	1MC	0.9318
338	GVH	0.9317
339	173	0.9317
340	M1H	0.9317
341	3HM	0.9315
342	PZA	0.9313
343	JZ2	0.9312
344	AC0	0.9312
345	TM7	0.9311
346	IDM	0.9309
347	9TW	0.9307
348	4MU	0.9307
349	URF	0.9307
350	QX4	0.9307
351	7HP	0.9306
352	A1U	0.9306
353	XXR	0.9306
354	92K	0.9304
355	34A	0.9304
356	94W	0.9302
357	JKE	0.9302
358	DRL	0.9300
359	XYD	0.9299
360	44W	0.9297
361	10L	0.9294
362	2MP	0.9294
363	5JQ	0.9294
364	A29	0.9293
365	EUG	0.9293
366	HX3	0.9293
367	CHB	0.9292
368	BEA	0.9289
369	DQU	0.9289
370	BDP	0.9289
371	F31	0.9288
372	5CU	0.9287
373	54D	0.9286
374	Y8I	0.9286
375	E5X	0.9286
376	HQD	0.9285
377	ICP	0.9283
378	PYD	0.9283
379	TPA	0.9281
380	SHA	0.9280
381	B62	0.9280
382	CWJ	0.9279
383	UNU	0.9279
384	LKA	0.9278
385	BCU	0.9276
386	IJZ	0.9275
387	1P3	0.9275
388	URC	0.9274
389	8H8	0.9273
390	717	0.9273
391	23A	0.9270
392	XAZ	0.9269
393	OW4	0.9269
394	AZ9	0.9267
395	75K	0.9267
396	DNF	0.9267
397	NTN	0.9266
398	NPO	0.9266
399	GYE	0.9266
400	NK	0.9264
401	6ME	0.9264
402	3WA	0.9262
403	BP1	0.9260
404	HHA	0.9260
405	WBU	0.9258
406	JFJ	0.9258
407	LGC	0.9257
408	1WD	0.9256
409	MVN	0.9253
410	7WA	0.9252
411	FYU	0.9252
412	5MH	0.9252
413	PM6	0.9251
414	OVP	0.9250
415	7MU	0.9247
416	JXN	0.9246
417	GXY	0.9245
418	5RO	0.9244
419	SHG	0.9244
420	BTY	0.9242
421	SOR	0.9242
422	HIS	0.9242
423	SWD	0.9241
424	TDR	0.9240
425	0R0	0.9238
426	8IG	0.9237
427	5NU	0.9236
428	7WV	0.9236
429	0W8	0.9236
430	LXC	0.9236
431	SXS	0.9235
432	43M	0.9235
433	GOJ	0.9231
434	51R	0.9231
435	F9P	0.9231
436	LDP	0.9230
437	VGL	0.9229
438	FP1	0.9229
439	FBM	0.9228
440	5WX	0.9227
441	XBT	0.9227
442	BSX	0.9226
443	BE7	0.9226
444	0HN	0.9226
445	5JL	0.9226
446	FA0	0.9224
447	B55	0.9223
448	6NT	0.9222
449	DOB	0.9221
450	8W9	0.9221
451	9FL	0.9220
452	R9Y	0.9220
453	3NY	0.9218
454	3IT	0.9218
455	82I	0.9218
456	QSB	0.9212
457	4M0	0.9211
458	1U6	0.9211
459	SOE	0.9211
460	44V	0.9210
461	NDH	0.9209
462	SS1	0.9209
463	KJY	0.9207
464	8TX	0.9205
465	1F1	0.9205
466	VNL	0.9203
467	J9W	0.9201
468	FAN	0.9200
469	M58	0.9199
470	VXX	0.9197
471	ES4	0.9196
472	0HO	0.9196
473	SRO	0.9194
474	M2K	0.9194
475	4ME	0.9194
476	4AA	0.9193
477	M1E	0.9193
478	DBJ	0.9193
479	DYA	0.9193
480	JZ3	0.9192
481	PKU	0.9191
482	15E	0.9191
483	7CZ	0.9191
484	2ZM	0.9189
485	NSP	0.9189
486	MO8	0.9188
487	PBC	0.9187
488	2AL	0.9187
489	QX2	0.9186
490	7NI	0.9186
491	TLD	0.9186
492	TOF	0.9184
493	BHA	0.9184
494	DE5	0.9182
495	JBQ	0.9182
496	0FK	0.9182
497	DGJ	0.9180
498	5UC	0.9177
499	QBK	0.9176
500	QWW	0.9175
501	39O	0.9174
502	ABI	0.9172
503	3OC	0.9172
504	PHB	0.9172
505	AJY	0.9171
506	IHB	0.9171
507	8OZ	0.9170
508	ORO	0.9169
509	34D	0.9168
510	0N7	0.9168
511	JZ9	0.9167
512	HJP	0.9167
513	92P	0.9165
514	GAG	0.9165
515	0TR	0.9165
516	2LY	0.9160
517	2H5	0.9159
518	DPZ	0.9158
519	2HU	0.9155
520	RAM	0.9155
521	WOO	0.9154
522	5WY	0.9154
523	B53	0.9153
524	FUL	0.9153
525	B57	0.9151
526	3XX	0.9151
527	EVA	0.9150
528	9FE	0.9149
529	6RQ	0.9147
530	OXC	0.9147
531	PAB	0.9147
532	JLZ	0.9142
533	MT0	0.9141
534	PH2	0.9139
535	261	0.9139
536	4P5	0.9139
537	JAW	0.9139
538	42C	0.9138
539	XYS	0.9137
540	495	0.9136
541	5NI	0.9136
542	GRE	0.9135
543	24B	0.9135
544	7ME	0.9133
545	E1T	0.9132
546	Q6T	0.9132
547	XCZ	0.9131
548	8HC	0.9131
549	3A9	0.9131
550	QSC	0.9130
551	CFF	0.9128
552	GBD	0.9127
553	AW5	0.9126
554	SWA	0.9126
555	NQ	0.9125
556	7VJ	0.9123
557	L3Q	0.9122
558	UFO	0.9122
559	HZQ	0.9121
560	ALL	0.9121
561	GDE	0.9119
562	IT2	0.9119
563	C2Y	0.9118
564	M6N	0.9117
565	15L	0.9115
566	PRF	0.9115
567	F5B	0.9115
568	Z82	0.9115
569	TIU	0.9114
570	EDR	0.9112
571	7ZE	0.9112
572	JYB	0.9111
573	DHK	0.9111
574	ASO	0.9110
575	GCU	0.9110
576	1IT	0.9108
577	4JO	0.9107
578	9CA	0.9106
579	60P	0.9105
580	VK3	0.9104
581	6NI	0.9104
582	DIE	0.9103
583	D07	0.9100
584	RMN	0.9100
585	ODO	0.9100
586	069	0.9099
587	BK9	0.9099
588	PDC	0.9099
589	PHU	0.9097
590	CTS	0.9097
591	15N	0.9097
592	T6C	0.9097
593	ZBT	0.9097
594	ZZT	0.9096
595	HHR	0.9095
596	HMU	0.9092
597	LMR	0.9090
598	H7Y	0.9090
599	OXQ	0.9090
600	JB8	0.9090
601	1DV	0.9090
602	HY3	0.9090
603	6M1	0.9089
604	AKH	0.9088
605	3FH	0.9088
606	HDH	0.9087
607	FBW	0.9087
608	HBD	0.9087
609	149	0.9084
610	9ZE	0.9083
611	6F0	0.9082
612	XYL	0.9080
613	PFB	0.9079
614	2ZQ	0.9078
615	RXA	0.9078
616	TGX	0.9078
617	FRU	0.9077
618	VNJ	0.9074
619	MS9	0.9074
620	2ZV	0.9071
621	1Y6	0.9069
622	ESI	0.9069
623	EXO	0.9069
624	CLZ	0.9066
625	DOR	0.9066
626	P92	0.9065
627	DHR	0.9064
628	8WO	0.9062
629	LSA	0.9061
630	GVG	0.9061
631	3RK	0.9058
632	174	0.9055
633	J9Q	0.9055
634	HQJ	0.9054
635	IUR	0.9053
636	ISE	0.9053
637	P3K	0.9052
638	FBV	0.9050
639	7B3	0.9047
640	LNR	0.9046
641	PBZ	0.9046
642	QAT	0.9044
643	2PC	0.9044
644	GZ8	0.9042
645	JDN	0.9040
646	PD2	0.9040
647	39A	0.9038
648	97T	0.9038
649	PQ0	0.9037
650	MXN	0.9036
651	F12	0.9036
652	7MH	0.9036
653	2LP	0.9035
654	4FA	0.9035
655	DEE	0.9034
656	HBA	0.9034
657	SKM	0.9033
658	PEY	0.9031
659	268	0.9030
660	35C	0.9030
661	GM7	0.9028
662	JIF	0.9028
663	0F9	0.9027
664	PEA	0.9027
665	AC6	0.9026
666	TTY	0.9026
667	GCB	0.9026
668	NID	0.9025
669	PYQ	0.9024
670	OK7	0.9023
671	PRZ	0.9022
672	PNZ	0.9022
673	2A9	0.9020
674	2FG	0.9020
675	GJS	0.9019
676	ZYR	0.9019
677	EKZ	0.9019
678	GLA	0.9019
679	42J	0.9018
680	SYV	0.9017
681	826	0.9016
682	YIO	0.9016
683	TP5	0.9015
684	SLS	0.9013
685	4MA	0.9013
686	PBA	0.9012
687	TBP	0.9010
688	OA3	0.9010
689	0XT	0.9009
690	JUG	0.9009
691	2FQ	0.9009
692	K34	0.9008
693	S76	0.9007
694	J1Z	0.9006
695	RHU	0.9006
696	IFL	0.9006
697	GIO	0.9005
698	SJ5	0.9004
699	SRT	0.8998
700	5CL	0.8998
701	EN1	0.8996
702	ADK	0.8994
703	3MA	0.8994
704	3SK	0.8992
705	RNS	0.8992
706	2A7	0.8990
707	X05	0.8990
708	37T	0.8990
709	TT4	0.8990
710	DFU	0.8989
711	PYC	0.8989
712	IDH	0.8989
713	L99	0.8988
714	D1X	0.8988
715	FGZ	0.8987
716	P72	0.8987
717	KBG	0.8987
718	GTR	0.8987
719	G1O	0.8985
720	PRO	0.8985
721	BMA	0.8985
722	GZL	0.8985
723	IFP	0.8984
724	FUC	0.8984
725	PCA	0.8983
726	TEP	0.8983
727	RIP	0.8983
728	QAS	0.8981
729	4TU	0.8980
730	INE	0.8980
731	M0W	0.8980
732	PHH	0.8979
733	FOA	0.8979
734	G2F	0.8978
735	RSO	0.8978
736	EV0	0.8977
737	0W1	0.8977
738	BZ2	0.8977
739	1KP	0.8976
740	4ZA	0.8976
741	NVU	0.8976
742	4WL	0.8975
743	SW7	0.8973
744	X0V	0.8973
745	RIB	0.8971
746	4VP	0.8970
747	FUD	0.8969
748	AEF	0.8969
749	8G0	0.8968
750	ASC	0.8967
751	URP	0.8966
752	GCO	0.8966
753	C21	0.8965
754	OMD	0.8965
755	B5D	0.8964
756	INS	0.8964
757	KTW	0.8961
758	JG8	0.8960
759	ANN	0.8960
760	RB5	0.8958
761	BSP	0.8957
762	HXX	0.8957
763	VOH	0.8957
764	IF7	0.8954
765	QSH	0.8954
766	L5V	0.8953
767	1A7	0.8953
768	0MK	0.8953
769	G4D	0.8952
770	K5W	0.8951
771	F81	0.8948
772	23J	0.8948
773	7MX	0.8946
774	JBN	0.8945
775	AKG	0.8945
776	XRG	0.8941
777	28N	0.8941
778	APG	0.8941
779	IWT	0.8940
780	X09	0.8940
781	265	0.8939
782	IAC	0.8938
783	ABE	0.8937
784	FB1	0.8937
785	275	0.8936
786	URA	0.8936
787	RCO	0.8935
788	AMC	0.8935
789	4FH	0.8932
790	TZC	0.8931
791	4XV	0.8929
792	258	0.8928
793	3CH	0.8928
794	3BU	0.8927
795	CRS	0.8926
796	12B	0.8925
797	4VS	0.8924
798	MBG	0.8924
799	284	0.8923
800	OTR	0.8922
801	2FY	0.8921
802	A13	0.8921
803	1GN	0.8920
804	DTL	0.8919
805	6LW	0.8918
806	1DU	0.8917
807	KYD	0.8916
808	GIV	0.8915
809	2DR	0.8913
810	3DM	0.8912
811	SMV	0.8912
812	GLT	0.8911
813	7WR	0.8909
814	SYN	0.8908
815	4BZ	0.8907
816	286	0.8906
817	TWO	0.8905
818	ARB	0.8905
819	TSU	0.8904
820	4SX	0.8904
821	95Z	0.8904
822	QPR	0.8901
823	ZWZ	0.8900
824	TBS	0.8900
825	FCA	0.8900
826	259	0.8900
827	EOL	0.8896
828	LG3	0.8896
829	HIO	0.8895
830	IBF	0.8895
831	20J	0.8892
832	YRL	0.8890
833	LG5	0.8889
834	0FN	0.8889
835	E7S	0.8888
836	Q7A	0.8886
837	DA4	0.8885
838	DFB	0.8885
839	ESX	0.8881
840	DMJ	0.8880
841	282	0.8880
842	4JM	0.8880
843	GXL	0.8879
844	K17	0.8878
845	CYT	0.8878
846	EJZ	0.8877
847	BBF	0.8877
848	ROI	0.8877
849	BCF	0.8876
850	4KL	0.8876
851	NOY	0.8876
852	PY7	0.8876
853	3SL	0.8876
854	HHQ	0.8874
855	F4E	0.8873
856	X6X	0.8873
857	IPB	0.8872
858	HFB	0.8871
859	YSO	0.8870
860	273	0.8870
861	B3R	0.8869
862	HKD	0.8869
863	2O6	0.8869
864	BVF	0.8868
865	Q71	0.8868
866	52C	0.8867
867	ZVO	0.8866
868	H76	0.8865
869	M4T	0.8864
870	HBX	0.8864
871	GAF	0.8864
872	9KT	0.8863
873	RD4	0.8861
874	26D	0.8860
875	30G	0.8860
876	MAN	0.8859
877	AX3	0.8859
878	4XS	0.8858
879	PYF	0.8857
880	XUL	0.8857
881	5NE	0.8855
882	M3T	0.8854
883	23W	0.8854
884	SVD	0.8854
885	JFD	0.8853
886	HEW	0.8852
887	ONR	0.8852
888	3ZQ	0.8852
889	JAB	0.8851
890	Z5P	0.8850
891	1QP	0.8850
892	JZ5	0.8850
893	ABN	0.8848
894	E35	0.8847
895	JTH	0.8847
896	FCR	0.8847
897	J6W	0.8847
898	FPY	0.8847
899	FB2	0.8845
900	JZ4	0.8845
901	GLY PRO	0.8844
902	HGQ	0.8843
903	X8D	0.8843
904	NTZ	0.8843
905	226	0.8842
906	FLV	0.8842
907	PRY	0.8840
908	C2A	0.8840
909	6FZ	0.8840
910	SR1	0.8840
911	NCT	0.8839
912	3QV	0.8838
913	ICB	0.8837
914	ASP	0.8837
915	LCN	0.8836
916	CAQ	0.8836
917	JXW	0.8836
918	0LH	0.8835
919	FDR	0.8834
920	CXF	0.8833
921	4NM	0.8832
922	DNC	0.8832
923	CIG	0.8831
924	4H2	0.8831
925	C9E	0.8831
926	B2J	0.8830
927	6TZ	0.8829
928	HSO	0.8825
929	NEQ	0.8825
930	680	0.8824
931	6BL	0.8824
932	9RW	0.8824
933	12M	0.8824
934	TEO	0.8824
935	PXM	0.8822
936	DHS	0.8821
937	2F6	0.8819
938	6KT	0.8817
939	329	0.8816
940	3MG	0.8816
941	OW7	0.8815
942	V1T	0.8815
943	SAN	0.8814
944	SMN	0.8812
945	4RU	0.8812
946	F3B	0.8812
947	4VY	0.8812
948	MBD	0.8812
949	2K8	0.8809
950	XXP	0.8809
951	UEG	0.8807
952	H8N	0.8806
953	PAC	0.8806
954	PYG	0.8805
955	FBT	0.8804
956	KPL	0.8803
957	1AL	0.8802
958	MFB	0.8801
959	MNM	0.8801
960	I1N	0.8801
961	IFM	0.8800
962	LYL	0.8800
963	KTA	0.8800
964	PEP	0.8800
965	ADA	0.8800
966	TLA	0.8799
967	N7I	0.8799
968	RNT	0.8798
969	209	0.8798
970	OXE	0.8797
971	DQN	0.8794
972	8GF	0.8794
973	TAR	0.8793
974	4V2	0.8791
975	JF2	0.8791
976	WOT	0.8790
977	K8X	0.8790
978	AZF	0.8790
979	HA7	0.8789
980	NCD	0.8789
981	GOO	0.8787
982	AL0	0.8787
983	PMB	0.8787
984	AAS	0.8787
985	H33	0.8786
986	YQA	0.8786
987	FDK	0.8785
988	MAJ	0.8785
989	BNF	0.8784
990	GV9	0.8783
991	091	0.8783
992	8XL	0.8782
993	LI6	0.8781
994	GOX	0.8781
995	ZZ3	0.8780
996	FCB	0.8779
997	JZ1	0.8777
998	JXZ	0.8776
999	BEW	0.8772
1000	2XX	0.8771
1001	K6X	0.8771
1002	SF9	0.8771
1003	OHP	0.8771
1004	I6G	0.8770
1005	TFU	0.8770
1006	8K2	0.8769
1007	W81	0.8769
1008	MZW	0.8768
1009	PCI	0.8765
1010	PHE	0.8765
1011	AEH	0.8764
1012	FUF	0.8764
1013	RM4	0.8764
1014	Q77	0.8760
1015	UY7	0.8759
1016	XLS	0.8757
1017	BZJ	0.8757
1018	6R8	0.8757
1019	6MH	0.8756
1020	BDF	0.8756
1021	GJP	0.8755
1022	TYL	0.8755
1023	PHT	0.8754
1024	5WU	0.8754
1025	3CE	0.8754
1026	3FA	0.8754
1027	GOG	0.8752
1028	M2H	0.8752
1029	IP0	0.8752
1030	FLM	0.8750
1031	URQ	0.8750
1032	PIY	0.8750
1033	RJY	0.8749
1034	KTJ	0.8749
1035	2CH	0.8748
1036	1HN	0.8747
1037	NTM	0.8746
1038	3MC	0.8746
1039	1SA	0.8746
1040	7N0	0.8745
1041	H4E	0.8745
1042	JP2	0.8745
1043	ESP	0.8745
1044	KIB	0.8744
1045	CN0	0.8744
1046	PQK	0.8744
1047	KFH	0.8743
1048	AMG	0.8742
1049	27B	0.8740
1050	HNQ	0.8739
1051	M4E	0.8738
1052	2C9	0.8738
1053	FH2	0.8734
1054	UFV	0.8734
1055	MRZ	0.8733
1056	FA1	0.8733
1057	HHS	0.8732
1058	L22	0.8732
1059	8XQ	0.8731
1060	EMZ	0.8730
1061	PEL	0.8730
1062	9PY	0.8730
1063	JU2	0.8729
1064	GIF	0.8728
1065	HBO	0.8727
1066	2MY	0.8726
1067	RAT	0.8725
1068	DX3	0.8725
1069	PAF	0.8724
1070	FHC	0.8724
1071	DHY	0.8723
1072	8NX	0.8721
1073	L89	0.8719
1074	7WG	0.8718
1075	FBU	0.8718
1076	1XX	0.8718
1077	FK8	0.8717
1078	6HQ	0.8716
1079	PIM	0.8714
1080	NHG	0.8714
1081	9X7	0.8712
1082	1DQ	0.8712
1083	12T	0.8711
1084	6X8	0.8710
1085	KLW	0.8709
1086	1AN	0.8709
1087	JF1	0.8709
1088	ARA	0.8708
1089	ZXD	0.8706
1090	AGK	0.8703
1091	GLU	0.8703
1092	ZZZ	0.8702
1093	ZB1	0.8702
1094	1MR	0.8702
1095	DUB	0.8702
1096	MAK	0.8700
1097	GJZ	0.8699
1098	428	0.8699
1099	2CM	0.8698
1100	CIY	0.8697
1101	8LG	0.8696
1102	1X7	0.8695
1103	BNS	0.8694
1104	FBJ	0.8694
1105	GMN	0.8694
1106	BML	0.8694
1107	FBA	0.8692
1108	OXZ	0.8691
1109	G12	0.8691
1110	2KA	0.8689
1111	FFP	0.8689
1112	3R9	0.8687
1113	2AF	0.8685
1114	M6Z	0.8682
1115	X0W	0.8682
1116	93Q	0.8681
1117	LRH	0.8680
1118	2PG	0.8680
1119	92Z	0.8679
1120	RPQ	0.8678
1121	FP2	0.8677
1122	LG4	0.8677
1123	A09	0.8676
1124	BPU	0.8676
1125	1L5	0.8675
1126	HYP	0.8674
1127	JZ0	0.8674
1128	AY4	0.8672
1129	TAG	0.8670
1130	KYA	0.8670
1131	HSM	0.8670
1132	HQE	0.8663
1133	HTS	0.8661
1134	ARP	0.8661
1135	4CH	0.8660
1136	F2W	0.8660
1137	ZZ8	0.8658
1138	0GZ	0.8658
1139	938	0.8658
1140	PLQ	0.8658
1141	BPN	0.8655
1142	PCR	0.8654
1143	R20	0.8654
1144	6QF	0.8653
1145	NLA	0.8652
1146	PA1	0.8650
1147	7VP	0.8650
1148	3MH	0.8650
1149	6OT	0.8648
1150	76X	0.8647
1151	AH8	0.8646
1152	R67	0.8642
1153	MB1	0.8640
1154	PJW	0.8640
1155	APS	0.8639
1156	948	0.8637
1157	FBS	0.8637
1158	QBM	0.8637
1159	Q02	0.8634
1160	4J8	0.8634
1161	9AP	0.8632
1162	EXD	0.8631
1163	FPN	0.8627
1164	H62	0.8627
1165	AN3	0.8626
1166	TM4	0.8626
1167	293	0.8626
1168	25R	0.8625
1169	LDR	0.8622
1170	QY9	0.8620
1171	K22	0.8620
1172	7I2	0.8620
1173	SFU	0.8620
1174	06B	0.8620
1175	J9N	0.8617
1176	DA1	0.8617
1177	EGR	0.8616
1178	PXY	0.8615
1179	MT5	0.8614
1180	KIA	0.8611
1181	5TY	0.8609
1182	2HC	0.8609
1183	4HS	0.8608
1184	SF6	0.8607
1185	0BP	0.8606
1186	PFL	0.8606
1187	GO8	0.8605
1188	4A5	0.8604
1189	MPV	0.8603
1190	CKA	0.8600
1191	MJ2	0.8599
1192	YAN	0.8599
1193	GNM	0.8597
1194	MSR	0.8594
1195	IPZ	0.8593
1196	BNT	0.8592
1197	0OC	0.8592
1198	UNJ	0.8587
1199	RBL	0.8585
1200	LZ2	0.8585
1201	GO2	0.8585
1202	XDE	0.8584
1203	I2M	0.8580
1204	R8A	0.8578
1205	GZ3	0.8576
1206	GT0	0.8572
1207	AX2	0.8572
1208	K32	0.8570
1209	2ZX	0.8569
1210	4P0	0.8567
1211	94N	0.8565
1212	AHB	0.8556
1213	QMP	0.8554
1214	7D2	0.8553
1215	13X	0.8550
1216	GCW	0.8546
1217	5ZE	0.8543
1218	5XB	0.8541
1219	R9S	0.8540
1220	4JN	0.8540
1221	4BL	0.8536
1222	3AY	0.8525

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

Pocket No.: 1; Query (leader) PDB : 3N7O; Ligand: N7O; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 1) in the query (biounit: 3n7o.bio1) has 28 residues
No:	Leader PDB	Ligand	Sequence Similarity

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