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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4J1Z	2 Å	EC: 2.4.2.30	TANKYRASE 2 IN COMPLEX WITH 4-CHLORO-1,2-DIHYDROPHATALZIN-ON	HOMO SAPIENS	CATALYTIC FRAGMENT PARP ADP-RIBOSYLATION ANK REPEAT GLYCOSYLTRANSFERASE MEMBRANE MRNA TRANSPORT NAD TELOMERTRANSFERASE TRANSLOCATION WNT-SIGNALLING RIBOSYLATION
Ref.:	FRAGMENT-BASED LIGAND DESIGN OF NOVEL POTENT INHIBI TANKYRASES. J.MED.CHEM. V. 56 4497 2013

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
SO4	A:1203; B:1203; A:1202; B:1202;	Invalid; Invalid; Invalid; Invalid;	none; none; none; none;	submit data	96.063	O4 S	[O-]S...
ZN	A:1201; B:1201;	Part of Protein; Part of Protein;	none; none;	submit data	65.409	Zn	[Zn+2...
495	B:1204; A:1204;	Valid; Valid;	none; none;	submit data	180.591	C8 H5 Cl N2 O	c1ccc...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4J3L	2.09 Å	EC: 2.4.2.30	TANKYRASE 2 IN COMPLEX WITH 3-CHLORO-N-(2-METHOXYETHYL)-4-(4 OXO-1,2-DIHYDROQUINOLIN-7-YL)BENZAMIDE	HOMO SAPIENS	RIBOSYLATION TRANSFERASE
Ref.:	FRAGMENT-BASED LIGAND DESIGN OF NOVEL POTENT INHIBI TANKYRASES. J.MED.CHEM. V. 56 4497 2013

Members (8)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 18 families.
1	4J1Z	-	495	C8 H5 Cl N2 O	c1ccc2c(c1....
2	4J22	Kd = 0.018 uM	AJ7	C23 H24 Cl N3 O3	CC1=CC(=O)....
3	4J3L	Kd = 0.016 uM	AJ5	C20 H19 Cl N2 O3	CC1=CC(=O)....
4	3MHK	-	P4L	C12 H11 N3 O S	c1ccnc(c1)....
5	4J3M	ic50 = 0.021 uM	AJ8	C17 H12 Cl N O3	CC1=CC(=O)....
6	4IUE	Kd = 0.28 uM	AJ4	C16 H12 F N O	CC1=CC(=O)....
7	4J21	Kd = 0.039 uM	AJ6	C16 H13 Cl N2 O	CC1=CC(=O)....
8	3W51	ic50 = 12 uM	AJ2	C10 H9 N O	Cc1cc(nc2c....

70% Homology Family (90)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 14 families.
1	6QXU	ic50 = 7 nM	JKN	C17 H14 F2 N2 O2	CC(C)(c1cc....
2	3UDD	-	34M	C20 H19 N5 O3 S	Cc1nnc(n1c....
3	4W6E	ic50 < 0.003 uM	3J5	C27 H29 N5 O2	Cc1cc(ncc1....
4	4MSK	ic50 = 0.063 uM	2C8	C25 H19 N5 O3	c1ccc(cc1)....
5	4OA7	-	2XS	C25 H19 N3 O3	c1cc2cccnc....
6	4K4E	-	K4E	C22 H25 Cl N4 O3	COc1ccc(cc....
7	4N4V	ic50 = 0.002 uM	2GY	C26 H29 N5 O2	CC1([C@@H]....
8	5ECE	ic50 = 9 nM	5N2	C26 H22 N6 O2	c1ccc2c(c1....
9	4TOR	-	IW8	C25 H28 Br N3 O4 S	CCN(c1cccc....
10	3UH4	ic50 = 0.011 uM	XAV	C14 H11 F3 N2 O S	c1cc(ccc1c....
11	4I9I	ic50 = 0.008 uM	1DY	C25 H22 N4 O4	COc1ccccc1....
12	4DVI	-	2IW	C26 H21 N3 O3	Cc1ccnc2c1....
13	4LI6	-	1XO	C23 H21 N3 O2 S	c1ccc(cc1)....
14	4MSG	ic50 = 0.1 nM	2C6	C25 H25 N5 O3 S	c1ccc(cc1)....
15	3UH2	ic50 = 1 uM	P34	C17 H17 N3 O2	CN(C)CC(=O....
16	5EBT	-	5N8	C23 H17 F5 N6 O2	C[C@H]1Cn2....
17	4MT9	ic50 = 0.1 nM	2D6	C24 H24 N4 O3 S	c1ccc2c(c1....
18	4N4T	ic50 = 0.049 uM	2GV	C26 H23 N5 O2	CC1([C@@H]....
19	4N3R	ic50 = 0.15 uM	2GU	C26 H22 F N5 O2	CC1(CC(=O)....
20	4LI7	-	1XP	C23 H23 Cl F N3 O3	COc1cc(c(c....
21	4KRS	ic50 = 0.299 uM	1SX	C15 H18 N4 O S	CC(C)(C)c1....
22	4TOS	-	355	C33 H33 N5 O4	CC1=CC=CC2....
23	4BUV	ic50 = 21 nM	16I	C19 H13 N3 O2 S	c1ccc2c(c1....
24	4BJ9	ic50 = 45 nM	UHB	C24 H27 N9 O6	c1cc2c(c(c....
25	4BU3	ic50 = 59 nM	F40	C14 H10 N2 O	c1ccc(cc1)....
26	3P0Q	-	NNL	C14 H14 Cl N5	Cc1cc(c2nn....
27	4UFU	ic50 = 10 nM	2ZI	C16 H11 F3 N2 O	Cc1cccc2c1....
28	4UVX	ic50 = 11 nM	H2W	C15 H9 Cl F N O	c1cc2c(c(c....
29	4UFY	ic50 = 7 nM	M3W	C16 H14 N2 O	Cc1ccc(cc1....
30	4BJC	ic50 = 14 nM	RPB	C19 H18 F N3 O	CNCc1ccc(c....
31	4UVZ	-	5NN	C15 H12 N2 O	c1ccc(cc1)....
32	5AEH	ic50 = 0.037 uM	8IR	C25 H19 Cl N4 O3	COc1ccc(cc....
33	4UVV	ic50 = 32 nM	W8L	C16 H12 Cl N O	Cc1cccc2c1....
34	5OWT	-	F37	C18 H14 N4 O3	C[C@@]1(C(....
35	4UHG	ic50 = 540 nM	SZ5	C15 H12 N2 O	Cc1ccc(cc1....
36	4UVY	ic50 = 5.5 nM	SGW	C16 H12 Cl N O2	COc1cccc2c....
37	5NUT	ic50 = 12 nM	9A8	C17 H16 N2 O2	CC(C)Oc1cc....
38	4BU8	ic50 = 28 nM	27F	C15 H9 N3 O	c1ccc2c(c1....
39	4UVW	ic50 = 19 nM	NYJ	C17 H15 N O	Cc1cccc2c1....
40	5NOB	ic50 = 0.0063 uM	92T	C24 H17 Cl N8 O	c1ccc(c(c1....
41	4BUX	ic50 = 34 nM	F35	C18 H14 N4 O3	c1ccc2c(c1....
42	4BJB	ic50 = 219 nM	P34	C17 H17 N3 O2	CN(C)CC(=O....
43	3P0N	-	BPU	C11 H7 Br N2 O	c1cc2n(c1)....
44	3U9Y	-	09L	C24 H23 F N4 O3	c1ccc2c(c1....
45	5AL5	ic50 = 71 nM	JL9	C18 H23 N5 O	c1cnccc1CN....
46	4BUW	ic50 = 15 nM	F33	C17 H13 N3 O3	c1ccc2c(c1....
47	4UVT	-	G1O	C10 H10 N2 O	CC1=CNC(=O....
48	4BUE	ic50 = 71 nM	JQF	C19 H19 N3 O2	CC(C)CC(=O....
49	5AL4	ic50 = 300 nM	WLH	C13 H20 N4 O	CN1CCN(CC1....
50	4W5I	ic50 = 97 nM	3GX	C15 H16 N2 O	CN1CCCC2=C....
51	4BUD	ic50 = 5 nM	29F	C18 H18 N2 O	CC(C)(C)c1....
52	4BFP	-	SWY	C29 H23 N5 O3 S	COc1ccc(cc....
53	4UVU	ic50 = 1200 nM	U1T	C21 H22 N2 O	Cc1cccc2c1....
54	5AKW	ic50 = 410 nM	NKI	C14 H11 Cl N2 O	c1ccc2c(c1....
55	5AL2	ic50 = 360 nM	O53	C16 H17 N3 O	CC(C)c1ccc....
56	4BS4	ic50 = 72 nM	A64	C18 H16 O2	CC(C)c1ccc....
57	5AL3	ic50 = 11000 nM	TGW	C14 H11 Cl2 N3 O	CN1c2c(ccc....
58	4UVN	-	CDJ	C15 H11 Cl N2 O	c1cc2c(c(c....
59	4BUS	ic50 = 176 nM	32F	C16 H12 N2 O4	c1ccc2c(c1....
60	3KR8	Kd = 8 nM	XAV	C14 H11 F3 N2 O S	c1cc(ccc1c....
61	4M7B	ic50 = 200 nM	28C	C14 H15 N5 O	Cc1cc(c2nn....
62	5AL1	ic50 = 53000 nM	GN5	C17 H19 N3 O	CC(C)(C)c1....
63	4BUU	ic50 = 56 nM	F38	C15 H13 N3 O3 S	c1ccc2c(c1....
64	4UVS	-	R4E	C14 H18 N2 O	CCCCCC1=Cc....
65	4BUY	ic50 = 5 nM	F37	C18 H14 N4 O3	C[C@@]1(C(....
66	4UVO	-	5WW	C16 H14 N2 O2	COc1ccc(cc....
67	4BU9	ic50 = 9 nM	08C	C15 H12 N2 O2	COc1ccc(cc....
68	5OWS	-	KC8	C18 H16 N4 O2	C[C@@]1(CN....
69	3P0P	-	NNF	C15 H17 F N4 O	CC1=CC(=O)....
70	4BU6	ic50 = 73 nM	RGK	C14 H11 N3 O	c1ccc2c(c1....
71	3MHJ	-	M3F	C14 H9 F3 N2 O	Cc1cc(nc2c....
72	4UVL	-	32X	C9 H8 N2 O	c1cc2c(c(c....
73	4BUF	ic50 = 38 nM	F36	C16 H12 N2 O2	CC(=O)c1cc....
74	5AKU	ic50 = 150 nM	29F	C18 H18 N2 O	CC(C)(C)c1....
75	4BUA	ic50 = 35 nM	91F	C15 H12 N2 O S	CSc1ccc(cc....
76	4BU5	ic50 = 102 nM	3F4	C14 H10 N2 O2	c1ccc2c(c1....
77	4UX4	-	E9L	C16 H15 N2 O	Cc1ccc(cc1....
78	4BU7	ic50 = 11 nM	25F	C14 H9 Br N2 O	c1ccc2c(c1....
79	3U9H	-	NCA	C6 H6 N2 O	c1cc(cnc1)....
80	3UA9	-	IWR	C25 H19 N3 O3	c1cc2cccnc....
81	4BUT	ic50 = 12 nM	31F	C14 H11 N3 O3 S	c1ccc2c(c1....
82	4BUI	ic50 = 23 nM	W2E	C16 H12 N2 O3	COC(=O)c1c....
83	4J1Z	-	495	C8 H5 Cl N2 O	c1ccc2c(c1....
84	4J22	Kd = 0.018 uM	AJ7	C23 H24 Cl N3 O3	CC1=CC(=O)....
85	4J3L	Kd = 0.016 uM	AJ5	C20 H19 Cl N2 O3	CC1=CC(=O)....
86	3MHK	-	P4L	C12 H11 N3 O S	c1ccnc(c1)....
87	4J3M	ic50 = 0.021 uM	AJ8	C17 H12 Cl N O3	CC1=CC(=O)....
88	4IUE	Kd = 0.28 uM	AJ4	C16 H12 F N O	CC1=CC(=O)....
89	4J21	Kd = 0.039 uM	AJ6	C16 H13 Cl N2 O	CC1=CC(=O)....
90	3W51	ic50 = 12 uM	AJ2	C10 H9 N O	Cc1cc(nc2c....

50% Homology Family (97)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 9 families.
1	6QXU	ic50 = 7 nM	JKN	C17 H14 F2 N2 O2	CC(C)(c1cc....
2	3UDD	-	34M	C20 H19 N5 O3 S	Cc1nnc(n1c....
3	4W6E	ic50 < 0.003 uM	3J5	C27 H29 N5 O2	Cc1cc(ncc1....
4	4MSK	ic50 = 0.063 uM	2C8	C25 H19 N5 O3	c1ccc(cc1)....
5	4OA7	-	2XS	C25 H19 N3 O3	c1cc2cccnc....
6	4K4E	-	K4E	C22 H25 Cl N4 O3	COc1ccc(cc....
7	4N4V	ic50 = 0.002 uM	2GY	C26 H29 N5 O2	CC1([C@@H]....
8	5ECE	ic50 = 9 nM	5N2	C26 H22 N6 O2	c1ccc2c(c1....
9	4TOR	-	IW8	C25 H28 Br N3 O4 S	CCN(c1cccc....
10	3UH4	ic50 = 0.011 uM	XAV	C14 H11 F3 N2 O S	c1cc(ccc1c....
11	4I9I	ic50 = 0.008 uM	1DY	C25 H22 N4 O4	COc1ccccc1....
12	4DVI	-	2IW	C26 H21 N3 O3	Cc1ccnc2c1....
13	4LI6	-	1XO	C23 H21 N3 O2 S	c1ccc(cc1)....
14	4MSG	ic50 = 0.1 nM	2C6	C25 H25 N5 O3 S	c1ccc(cc1)....
15	3UH2	ic50 = 1 uM	P34	C17 H17 N3 O2	CN(C)CC(=O....
16	5EBT	-	5N8	C23 H17 F5 N6 O2	C[C@H]1Cn2....
17	4MT9	ic50 = 0.1 nM	2D6	C24 H24 N4 O3 S	c1ccc2c(c1....
18	4N4T	ic50 = 0.049 uM	2GV	C26 H23 N5 O2	CC1([C@@H]....
19	4N3R	ic50 = 0.15 uM	2GU	C26 H22 F N5 O2	CC1(CC(=O)....
20	4LI7	-	1XP	C23 H23 Cl F N3 O3	COc1cc(c(c....
21	4KRS	ic50 = 0.299 uM	1SX	C15 H18 N4 O S	CC(C)(C)c1....
22	4TOS	-	355	C33 H33 N5 O4	CC1=CC=CC2....
23	4BUV	ic50 = 21 nM	16I	C19 H13 N3 O2 S	c1ccc2c(c1....
24	4BJ9	ic50 = 45 nM	UHB	C24 H27 N9 O6	c1cc2c(c(c....
25	4BU3	ic50 = 59 nM	F40	C14 H10 N2 O	c1ccc(cc1)....
26	3P0Q	-	NNL	C14 H14 Cl N5	Cc1cc(c2nn....
27	4UFU	ic50 = 10 nM	2ZI	C16 H11 F3 N2 O	Cc1cccc2c1....
28	4UVX	ic50 = 11 nM	H2W	C15 H9 Cl F N O	c1cc2c(c(c....
29	4UFY	ic50 = 7 nM	M3W	C16 H14 N2 O	Cc1ccc(cc1....
30	4BJC	ic50 = 14 nM	RPB	C19 H18 F N3 O	CNCc1ccc(c....
31	4UVZ	-	5NN	C15 H12 N2 O	c1ccc(cc1)....
32	5AEH	ic50 = 0.037 uM	8IR	C25 H19 Cl N4 O3	COc1ccc(cc....
33	4UVV	ic50 = 32 nM	W8L	C16 H12 Cl N O	Cc1cccc2c1....
34	5OWT	-	F37	C18 H14 N4 O3	C[C@@]1(C(....
35	4UHG	ic50 = 540 nM	SZ5	C15 H12 N2 O	Cc1ccc(cc1....
36	4UVY	ic50 = 5.5 nM	SGW	C16 H12 Cl N O2	COc1cccc2c....
37	5NUT	ic50 = 12 nM	9A8	C17 H16 N2 O2	CC(C)Oc1cc....
38	4BU8	ic50 = 28 nM	27F	C15 H9 N3 O	c1ccc2c(c1....
39	4UVW	ic50 = 19 nM	NYJ	C17 H15 N O	Cc1cccc2c1....
40	5NOB	ic50 = 0.0063 uM	92T	C24 H17 Cl N8 O	c1ccc(c(c1....
41	4BUX	ic50 = 34 nM	F35	C18 H14 N4 O3	c1ccc2c(c1....
42	4BJB	ic50 = 219 nM	P34	C17 H17 N3 O2	CN(C)CC(=O....
43	3P0N	-	BPU	C11 H7 Br N2 O	c1cc2n(c1)....
44	3U9Y	-	09L	C24 H23 F N4 O3	c1ccc2c(c1....
45	5AL5	ic50 = 71 nM	JL9	C18 H23 N5 O	c1cnccc1CN....
46	4BUW	ic50 = 15 nM	F33	C17 H13 N3 O3	c1ccc2c(c1....
47	4UVT	-	G1O	C10 H10 N2 O	CC1=CNC(=O....
48	4BUE	ic50 = 71 nM	JQF	C19 H19 N3 O2	CC(C)CC(=O....
49	5AL4	ic50 = 300 nM	WLH	C13 H20 N4 O	CN1CCN(CC1....
50	4W5I	ic50 = 97 nM	3GX	C15 H16 N2 O	CN1CCCC2=C....
51	4BUD	ic50 = 5 nM	29F	C18 H18 N2 O	CC(C)(C)c1....
52	4BFP	-	SWY	C29 H23 N5 O3 S	COc1ccc(cc....
53	4UVU	ic50 = 1200 nM	U1T	C21 H22 N2 O	Cc1cccc2c1....
54	5AKW	ic50 = 410 nM	NKI	C14 H11 Cl N2 O	c1ccc2c(c1....
55	5AL2	ic50 = 360 nM	O53	C16 H17 N3 O	CC(C)c1ccc....
56	4BS4	ic50 = 72 nM	A64	C18 H16 O2	CC(C)c1ccc....
57	5AL3	ic50 = 11000 nM	TGW	C14 H11 Cl2 N3 O	CN1c2c(ccc....
58	4UVN	-	CDJ	C15 H11 Cl N2 O	c1cc2c(c(c....
59	4BUS	ic50 = 176 nM	32F	C16 H12 N2 O4	c1ccc2c(c1....
60	3KR8	Kd = 8 nM	XAV	C14 H11 F3 N2 O S	c1cc(ccc1c....
61	4M7B	ic50 = 200 nM	28C	C14 H15 N5 O	Cc1cc(c2nn....
62	5AL1	ic50 = 53000 nM	GN5	C17 H19 N3 O	CC(C)(C)c1....
63	4BUU	ic50 = 56 nM	F38	C15 H13 N3 O3 S	c1ccc2c(c1....
64	4UVS	-	R4E	C14 H18 N2 O	CCCCCC1=Cc....
65	4BUY	ic50 = 5 nM	F37	C18 H14 N4 O3	C[C@@]1(C(....
66	4UVO	-	5WW	C16 H14 N2 O2	COc1ccc(cc....
67	4BU9	ic50 = 9 nM	08C	C15 H12 N2 O2	COc1ccc(cc....
68	5OWS	-	KC8	C18 H16 N4 O2	C[C@@]1(CN....
69	3P0P	-	NNF	C15 H17 F N4 O	CC1=CC(=O)....
70	4BU6	ic50 = 73 nM	RGK	C14 H11 N3 O	c1ccc2c(c1....
71	3MHJ	-	M3F	C14 H9 F3 N2 O	Cc1cc(nc2c....
72	4UVL	-	32X	C9 H8 N2 O	c1cc2c(c(c....
73	4BUF	ic50 = 38 nM	F36	C16 H12 N2 O2	CC(=O)c1cc....
74	5AKU	ic50 = 150 nM	29F	C18 H18 N2 O	CC(C)(C)c1....
75	4BUA	ic50 = 35 nM	91F	C15 H12 N2 O S	CSc1ccc(cc....
76	4BU5	ic50 = 102 nM	3F4	C14 H10 N2 O2	c1ccc2c(c1....
77	4UX4	-	E9L	C16 H15 N2 O	Cc1ccc(cc1....
78	4BU7	ic50 = 11 nM	25F	C14 H9 Br N2 O	c1ccc2c(c1....
79	3U9H	-	NCA	C6 H6 N2 O	c1cc(cnc1)....
80	3UA9	-	IWR	C25 H19 N3 O3	c1cc2cccnc....
81	4BUT	ic50 = 12 nM	31F	C14 H11 N3 O3 S	c1ccc2c(c1....
82	4BUI	ic50 = 23 nM	W2E	C16 H12 N2 O3	COC(=O)c1c....
83	3SE2	-	LDR	C13 H9 N O	c1ccc2c(c1....
84	6FYM	-	EBB	C15 H14 N4 O S	Cc1ccc2c(c....
85	5V7T	ic50 = 610 nM	91V	C27 H32 N6 O	c1ccc(cc1)....
86	3SMJ	-	FDR	C10 H10 N2 O S	CC1=Nc2c(c....
87	4F1L	-	0RY	C11 H10 N2 O4	c1cc(cc(c1....
88	4J1Z	-	495	C8 H5 Cl N2 O	c1ccc2c(c1....
89	4J22	Kd = 0.018 uM	AJ7	C23 H24 Cl N3 O3	CC1=CC(=O)....
90	4J3L	Kd = 0.016 uM	AJ5	C20 H19 Cl N2 O3	CC1=CC(=O)....
91	3MHK	-	P4L	C12 H11 N3 O S	c1ccnc(c1)....
92	4J3M	ic50 = 0.021 uM	AJ8	C17 H12 Cl N O3	CC1=CC(=O)....
93	4IUE	Kd = 0.28 uM	AJ4	C16 H12 F N O	CC1=CC(=O)....
94	4J21	Kd = 0.039 uM	AJ6	C16 H13 Cl N2 O	CC1=CC(=O)....
95	3W51	ic50 = 12 uM	AJ2	C10 H9 N O	Cc1cc(nc2c....
96	6EK3	-	OUL	C14 H12 N2 O3	c1cc(ccc1C....
97	4F0E	-	0RU	C14 H12 N4 O S	Cc1cccc2c1....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: 495; Similar ligands found: 2

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	495	1	1
2	5OF	0.4	0.6

Similar Ligands (3D)

Ligand no: 1; Ligand: 495; Similar ligands found: 910

No:	Ligand	Similarity coefficient
1	MT0	1.0000
2	HZQ	0.9996
3	G1O	0.9769
4	HH8	0.9752
5	1NP	0.9740
6	BGC	0.9737
7	ES1	0.9725
8	5Q0	0.9723
9	GLC	0.9721
10	1SQ	0.9718
11	24W	0.9718
12	1LQ	0.9717
13	HQY	0.9715
14	N5J	0.9707
15	4XH	0.9706
16	4YS	0.9706
17	5SG	0.9704
18	5IQ	0.9693
19	JPZ	0.9686
20	JUG	0.9669
21	RXA	0.9668
22	APZ	0.9655
23	JBH	0.9647
24	G6D	0.9644
25	HLZ	0.9642
26	O72	0.9641
27	NQ	0.9640
28	SWD	0.9640
29	R8V	0.9637
30	VK3	0.9633
31	1XN	0.9628
32	12Q	0.9627
33	HQT	0.9627
34	1LM	0.9625
35	G3F	0.9617
36	GIO	0.9610
37	25W	0.9604
38	ADK	0.9600
39	KJH	0.9562
40	7NI	0.9558
41	6MP	0.9557
42	BTE	0.9553
43	TTL	0.9549
44	AZA	0.9544
45	5QX	0.9542
46	ISE	0.9536
47	JBQ	0.9534
48	3WA	0.9534
49	0P6	0.9532
50	AZ8	0.9531
51	7W1	0.9531
52	SKA	0.9530
53	EQT	0.9529
54	2D0	0.9528
55	PE0	0.9525
56	5WX	0.9525
57	8S0	0.9522
58	HPA	0.9521
59	Q24	0.9519
60	M1H	0.9518
61	GUN	0.9517
62	Q88	0.9514
63	3MA	0.9510
64	7VS	0.9508
65	37T	0.9506
66	CWS	0.9505
67	M0Q	0.9504
68	IGA	0.9499
69	ADE	0.9496
70	A7W	0.9493
71	7WA	0.9491
72	PXL	0.9490
73	M5K	0.9488
74	9DG	0.9488
75	9KT	0.9487
76	AJ2	0.9485
77	BP1	0.9485
78	CFP	0.9484
79	8CM	0.9482
80	YSO	0.9481
81	ES4	0.9480
82	PHT	0.9479
83	HJP	0.9479
84	GCS	0.9479
85	AZ9	0.9477
86	M1A	0.9475
87	67N	0.9474
88	DBJ	0.9470
89	39A	0.9470
90	M6N	0.9468
91	J9W	0.9468
92	3IT	0.9468
93	ES0	0.9467
94	10L	0.9466
95	M0W	0.9466
96	141	0.9462
97	UNC	0.9460
98	5M0	0.9458
99	PM6	0.9458
100	XAN	0.9458
101	MEW	0.9455
102	XXR	0.9455
103	290	0.9453
104	AQO	0.9452
105	AKH	0.9451
106	SVN	0.9450
107	9HX	0.9449
108	7HP	0.9449
109	9DA	0.9449
110	4HC	0.9449
111	DX4	0.9448
112	12B	0.9446
113	Q6T	0.9446
114	7HQ	0.9444
115	KT7	0.9443
116	I3A	0.9441
117	NTM	0.9440
118	BDP	0.9439
119	3MG	0.9439
120	SWA	0.9436
121	D07	0.9434
122	2ZQ	0.9434
123	6GU	0.9431
124	F5B	0.9427
125	C2U	0.9424
126	3Z8	0.9420
127	A2F	0.9419
128	M1Q	0.9419
129	HH5	0.9417
130	DHQ	0.9416
131	SAL	0.9415
132	HQD	0.9414
133	PYQ	0.9412
134	LI6	0.9406
135	9MG	0.9406
136	LSA	0.9405
137	KUF	0.9404
138	CWM	0.9401
139	6AP	0.9400
140	TEP	0.9400
141	32X	0.9399
142	GAL	0.9393
143	7ZE	0.9392
144	7WR	0.9391
145	NTZ	0.9391
146	CFF	0.9390
147	FOT	0.9389
148	7B4	0.9389
149	5MK	0.9388
150	BE2	0.9387
151	AZG	0.9382
152	URC	0.9381
153	M1E	0.9378
154	5RG	0.9376
155	XYP	0.9374
156	QPR	0.9372
157	1XM	0.9371
158	5WY	0.9369
159	JBE	0.9366
160	LGC	0.9365
161	329	0.9363
162	ISN	0.9360
163	FE DB1	0.9359
164	0N7	0.9358
165	7WV	0.9358
166	GTQ	0.9355
167	BOA	0.9354
168	DHK	0.9349
169	IJZ	0.9344
170	DIN	0.9344
171	LXC	0.9343
172	8XQ	0.9343
173	ADZ	0.9343
174	42C	0.9340
175	3F0	0.9338
176	6CS	0.9334
177	NPY	0.9333
178	EA1	0.9332
179	KLW	0.9330
180	GDE	0.9328
181	KKN	0.9328
182	YH7	0.9327
183	15L	0.9326
184	0CU	0.9325
185	VNL	0.9325
186	DPZ	0.9324
187	BCP	0.9323
188	JKE	0.9318
189	1WD	0.9316
190	3HA	0.9316
191	QUZ	0.9313
192	AIN	0.9309
193	MRW	0.9307
194	UAN	0.9307
195	KJY	0.9304
196	OXC	0.9304
197	54G	0.9301
198	IV2	0.9300
199	KYD	0.9300
200	FUL	0.9298
201	EXO	0.9298
202	PX7	0.9298
203	680	0.9298
204	ORO	0.9297
205	QBK	0.9294
206	6M9	0.9292
207	JIF	0.9290
208	GRE	0.9288
209	3M0	0.9288
210	DBH	0.9284
211	4SV	0.9282
212	HFB	0.9279
213	G5V	0.9278
214	2CK	0.9277
215	NID	0.9277
216	B60	0.9276
217	7MH	0.9276
218	35C	0.9275
219	6F0	0.9274
220	T6C	0.9273
221	0W8	0.9271
222	INS	0.9270
223	F05	0.9268
224	DRL	0.9260
225	NOJ	0.9260
226	ZVO	0.9259
227	MAQ	0.9258
228	I6G	0.9253
229	34D	0.9252
230	9EW	0.9251
231	23A	0.9250
232	5WV	0.9250
233	AW5	0.9249
234	XAZ	0.9247
235	B55	0.9247
236	ES6	0.9246
237	ES7	0.9246
238	5RN	0.9245
239	NDM	0.9243
240	GTR	0.9241
241	3RK	0.9240
242	3C1	0.9240
243	3C2	0.9240
244	92K	0.9240
245	6M1	0.9239
246	8TX	0.9236
247	9TZ	0.9232
248	KIB	0.9231
249	HNQ	0.9230
250	B57	0.9228
251	FGZ	0.9225
252	PFB	0.9225
253	3U4	0.9224
254	MUA	0.9224
255	149	0.9222
256	GCU	0.9222
257	YIO	0.9221
258	7W4	0.9220
259	6M4	0.9217
260	BTY	0.9216
261	CTS	0.9216
262	DOR	0.9215
263	SHG	0.9215
264	JBK	0.9215
265	2ZV	0.9215
266	MO8	0.9211
267	4MU	0.9211
268	209	0.9210
269	UFO	0.9210
270	INE	0.9210
271	B53	0.9209
272	GJS	0.9208
273	7VJ	0.9208
274	H33	0.9203
275	FBG	0.9202
276	2AK	0.9201
277	GM7	0.9200
278	TOF	0.9198
279	PCI	0.9197
280	FDB	0.9195
281	FA0	0.9193
282	BEA	0.9191
283	B62	0.9187
284	4ME	0.9187
285	NMJ	0.9186
286	F3B	0.9185
287	CTL	0.9185
288	75K	0.9182
289	BCF	0.9182
290	4CS	0.9182
291	5CL	0.9181
292	DQN	0.9181
293	5NU	0.9180
294	5JQ	0.9180
295	GYE	0.9175
296	QSH	0.9173
297	0RW	0.9173
298	PHH	0.9172
299	HHA	0.9170
300	HLR	0.9168
301	3MB	0.9168
302	5CU	0.9165
303	XYS	0.9165
304	SRO	0.9164
305	4NC	0.9163
306	COU	0.9163
307	XHP	0.9163
308	SOR	0.9161
309	BBF	0.9158
310	OTW	0.9158
311	QX4	0.9156
312	8GC	0.9154
313	2H5	0.9154
314	TBS	0.9154
315	GOG	0.9154
316	8IG	0.9150
317	DIU	0.9150
318	F0J	0.9148
319	QAT	0.9147
320	DIE	0.9145
321	SXS	0.9144
322	DOB	0.9144
323	06B	0.9140
324	GZ8	0.9138
325	1P7	0.9136
326	D1X	0.9134
327	2FG	0.9133
328	0FO	0.9133
329	44W	0.9131
330	3ID	0.9130
331	SX1	0.9129
332	1PT	0.9128
333	JFD	0.9127
334	DQU	0.9127
335	OVM	0.9127
336	GOX	0.9126
337	NDH	0.9125
338	SOE	0.9125
339	MVL	0.9124
340	QAS	0.9123
341	XQG	0.9123
342	GCB	0.9122
343	EVA	0.9119
344	DHB	0.9119
345	S76	0.9119
346	42A	0.9116
347	44V	0.9115
348	ICO	0.9115
349	FLV	0.9115
350	X09	0.9113
351	4M4	0.9112
352	4M0	0.9111
353	GIM	0.9110
354	4AA	0.9110
355	2A7	0.9107
356	IBF	0.9107
357	03V	0.9107
358	AJV	0.9106
359	39O	0.9106
360	86J	0.9106
361	GAB	0.9106
362	4FS	0.9104
363	BHO	0.9103
364	226	0.9101
365	TBP	0.9101
366	SKM	0.9100
367	V55	0.9098
368	3Z7	0.9098
369	MAN	0.9097
370	OCH	0.9097
371	H42	0.9093
372	5JL	0.9092
373	K17	0.9092
374	LZM	0.9092
375	YQA	0.9091
376	RAM	0.9091
377	GIV	0.9090
378	2AQ	0.9090
379	X05	0.9090
380	MVN	0.9090
381	173	0.9086
382	XQ0	0.9085
383	AHR	0.9083
384	LKA	0.9080
385	RM4	0.9080
386	E7Z	0.9079
387	BZX	0.9077
388	12M	0.9076
389	GLA	0.9075
390	RNS	0.9075
391	ASO	0.9074
392	3AB	0.9074
393	BHA	0.9072
394	JKZ	0.9070
395	PXM	0.9070
396	EYK	0.9070
397	KIA	0.9068
398	MFB	0.9068
399	3HB	0.9068
400	KBG	0.9066
401	3PF	0.9066
402	1X7	0.9065
403	G3E	0.9060
404	MBG	0.9060
405	5QY	0.9057
406	F12	0.9053
407	DNC	0.9053
408	Z5P	0.9053
409	ES5	0.9052
410	M2K	0.9051
411	2AL	0.9051
412	53C	0.9050
413	2FQ	0.9048
414	FUC	0.9045
415	4JP	0.9045
416	ARB	0.9044
417	P9P	0.9043
418	0FN	0.9043
419	RPQ	0.9041
420	DMD	0.9040
421	SYA	0.9040
422	5HN	0.9038
423	SYV	0.9038
424	IND	0.9038
425	BZI	0.9037
426	1GN	0.9036
427	8WT	0.9036
428	DEN	0.9035
429	ASC	0.9034
430	TTY	0.9032
431	1U1	0.9030
432	14O	0.9028
433	JB5	0.9026
434	QX2	0.9025
435	18N	0.9024
436	3NT	0.9024
437	5H1	0.9021
438	6BL	0.9019
439	FCB	0.9017
440	I1N	0.9016
441	X8D	0.9016
442	BZF	0.9015
443	QWW	0.9013
444	270	0.9013
445	IDM	0.9013
446	AEZ	0.9011
447	5OB	0.9010
448	OMD	0.9010
449	6ME	0.9008
450	MYJ	0.9008
451	3FH	0.9008
452	97T	0.9008
453	K6X	0.9007
454	6VD	0.9006
455	FHB	0.9004
456	NNO	0.9004
457	UEG	0.9000
458	INO	0.8999
459	4A3	0.8999
460	LZ1	0.8998
461	SHA	0.8998
462	FBT	0.8997
463	2DR	0.8996
464	RM1	0.8996
465	AX7	0.8996
466	2HQ	0.8994
467	SE2	0.8992
468	4XV	0.8992
469	MPI	0.8990
470	F60	0.8990
471	MWP	0.8989
472	QSB	0.8989
473	J9Q	0.8988
474	CHB	0.8987
475	G2F	0.8984
476	BMA	0.8984
477	2LY	0.8984
478	GVH	0.8981
479	DEE	0.8981
480	AMG	0.8981
481	3TJ	0.8980
482	ABV	0.8979
483	XX2	0.8979
484	VNJ	0.8977
485	BR8	0.8976
486	0R1	0.8975
487	PDC	0.8975
488	0TR	0.8973
489	YCP	0.8972
490	WCE	0.8969
491	7B3	0.8969
492	6AI	0.8969
493	OVV	0.8967
494	GTZ	0.8966
495	UFV	0.8965
496	MBD	0.8963
497	HTP	0.8963
498	5MB	0.8963
499	CLZ	0.8963
500	J5I	0.8962
501	1WG	0.8962
502	MZB	0.8962
503	2K4	0.8961
504	GTL	0.8960
505	23J	0.8960
506	93K	0.8959
507	JAE	0.8958
508	LT2	0.8958
509	4XS	0.8957
510	ZZ8	0.8957
511	2MN	0.8955
512	WOO	0.8953
513	HLD	0.8952
514	7ME	0.8951
515	K22	0.8951
516	K32	0.8950
517	D48	0.8949
518	5B1	0.8948
519	BSP	0.8947
520	8GK	0.8946
521	A13	0.8946
522	2HO	0.8946
523	4Z4	0.8945
524	60P	0.8945
525	BRT	0.8945
526	FUF	0.8944
527	EJZ	0.8942
528	0MK	0.8941
529	8W9	0.8941
530	N8Y	0.8941
531	C2Y	0.8939
532	GAG	0.8939
533	0CT	0.8938
534	PRF	0.8937
535	NCA	0.8936
536	Q7A	0.8936
537	GBD	0.8934
538	3HM	0.8934
539	13X	0.8933
540	PRZ	0.8932
541	JZ3	0.8929
542	MT5	0.8929
543	BEZ	0.8928
544	FLC	0.8928
545	BK9	0.8926
546	DUB	0.8925
547	MSN	0.8925
548	5MI	0.8923
549	JTH	0.8921
550	28N	0.8921
551	DNF	0.8921
552	ZWZ	0.8920
553	5RO	0.8920
554	5NE	0.8919
555	NBZ	0.8919
556	BEN	0.8918
557	FB1	0.8918
558	FYU	0.8917
559	RSF	0.8917
560	ADA	0.8914
561	JND	0.8913
562	NIO	0.8911
563	IPZ	0.8910
564	2EC	0.8910
565	X6X	0.8907
566	XM0	0.8906
567	L3Q	0.8905
568	JXN	0.8904
569	G4D	0.8903
570	PA1	0.8903
571	1U6	0.8903
572	ES9	0.8902
573	FK1	0.8902
574	IHB	0.8901
575	3DM	0.8900
576	82I	0.8900
577	3BZ	0.8899
578	URF	0.8899
579	MFU	0.8897
580	FCA	0.8897
581	92P	0.8895
582	OXQ	0.8895
583	AX2	0.8895
584	PQ0	0.8895
585	PYG	0.8891
586	HMH	0.8890
587	11S	0.8890
588	EUG	0.8889
589	GMN	0.8889
590	9TW	0.8887
591	H4N	0.8886
592	2MI	0.8883
593	3FA	0.8883
594	FLM	0.8881
595	DBX	0.8881
596	MHK	0.8880
597	0F9	0.8879
598	R8A	0.8878
599	MT8	0.8876
600	PEY	0.8876
601	4JT	0.8876
602	P3K	0.8876
603	ERH	0.8875
604	LDR	0.8874
605	GOO	0.8873
606	4XR	0.8873
607	2CM	0.8872
608	JZ9	0.8871
609	PZA	0.8871
610	6UA	0.8870
611	OW4	0.8869
612	1P3	0.8867
613	MCT	0.8866
614	261	0.8866
615	4AN	0.8865
616	4TU	0.8864
617	EKZ	0.8863
618	3AY	0.8862
619	E3D	0.8862
620	FBV	0.8862
621	RD4	0.8860
622	HMU	0.8860
623	TDR	0.8860
624	6PC	0.8858
625	IFL	0.8858
626	HY3	0.8857
627	R9Y	0.8857
628	3R6	0.8856
629	BNT	0.8854
630	UNU	0.8853
631	1DW	0.8852
632	GAF	0.8850
633	H6B	0.8849
634	ALL	0.8848
635	GV9	0.8847
636	BZ3	0.8847
637	SYR	0.8846
638	JR2	0.8846
639	94B	0.8845
640	2C9	0.8844
641	MWM	0.8844
642	9AP	0.8844
643	7CZ	0.8843
644	4ZE	0.8842
645	NIZ	0.8842
646	WBU	0.8841
647	ZZ3	0.8840
648	GCW	0.8840
649	R8S	0.8840
650	BAM	0.8839
651	TH7	0.8839
652	LDP	0.8839
653	2CQ	0.8838
654	Q71	0.8835
655	0GZ	0.8835
656	HKD	0.8833
657	ET2	0.8832
658	OA3	0.8832
659	2YU	0.8832
660	150	0.8831
661	6MH	0.8831
662	HXX	0.8830
663	NOY	0.8829
664	FP1	0.8828
665	2FY	0.8827
666	FBB	0.8827
667	KJU	0.8827
668	FHN	0.8826
669	4JQ	0.8825
670	1P8	0.8825
671	8NY	0.8824
672	5ZE	0.8820
673	F31	0.8819
674	NGO	0.8817
675	GZL	0.8816
676	NVU	0.8816
677	LCN	0.8814
678	NK	0.8814
679	2MY	0.8813
680	RIB	0.8811
681	OTD	0.8811
682	SS1	0.8811
683	948	0.8810
684	3MC	0.8809
685	5NS	0.8809
686	MS9	0.8808
687	GLT	0.8807
688	ES2	0.8807
689	1KP	0.8804
690	XBZ	0.8804
691	RIP	0.8803
692	FBU	0.8803
693	3SK	0.8800
694	CLW	0.8798
695	NPO	0.8797
696	2AC	0.8794
697	4HM	0.8793
698	NCD	0.8790
699	TFU	0.8789
700	VGL	0.8788
701	3OC	0.8788
702	TVP	0.8787
703	K2T	0.8787
704	TM7	0.8787
705	DFB	0.8786
706	AC0	0.8786
707	K3Q	0.8785
708	2ZX	0.8785
709	3CE	0.8785
710	HT4	0.8784
711	FFP	0.8782
712	B5D	0.8781
713	36R	0.8780
714	ICP	0.8780
715	PHB	0.8780
716	0TU	0.8779
717	GXL	0.8779
718	PBC	0.8778
719	0JD	0.8777
720	ZB1	0.8777
721	QOS	0.8776
722	4HO	0.8775
723	KYA	0.8775
724	VXX	0.8775
725	WDL	0.8772
726	HIS	0.8772
727	QIC	0.8771
728	F81	0.8771
729	MMA	0.8770
730	4YO	0.8770
731	4ZC	0.8770
732	ARA	0.8770
733	AZF	0.8770
734	9FL	0.8768
735	20J	0.8767
736	94N	0.8767
737	51R	0.8766
738	4PW	0.8766
739	PYD	0.8764
740	ENL	0.8764
741	G12	0.8764
742	IFM	0.8764
743	GLF	0.8763
744	MQN	0.8763
745	VGD	0.8763
746	ODO	0.8759
747	ZZT	0.8759
748	1MC	0.8759
749	FBW	0.8759
750	ONR	0.8758
751	FA3	0.8758
752	A1U	0.8757
753	3XX	0.8756
754	DMJ	0.8754
755	CN0	0.8752
756	IPB	0.8750
757	KOJ	0.8749
758	67X	0.8748
759	TIU	0.8747
760	RHU	0.8747
761	34A	0.8745
762	ZYR	0.8745
763	KBB	0.8744
764	2MP	0.8744
765	PH2	0.8743
766	M5N	0.8740
767	SR4	0.8737
768	HBD	0.8736
769	5GU	0.8736
770	5JC	0.8734
771	H5B	0.8733
772	5VM	0.8733
773	BPU	0.8732
774	MZG	0.8732
775	39U	0.8731
776	43M	0.8731
777	IFP	0.8731
778	J9T	0.8731
779	NTN	0.8731
780	FDK	0.8728
781	SVD	0.8727
782	52C	0.8725
783	HA7	0.8725
784	II6	0.8725
785	4KL	0.8724
786	FA6	0.8722
787	5MH	0.8721
788	286	0.8720
789	PBR	0.8720
790	X0V	0.8720
791	HX3	0.8718
792	FH2	0.8716
793	TH0	0.8712
794	ESI	0.8712
795	UQ	0.8711
796	PAB	0.8710
797	7M6	0.8709
798	XYD	0.8709
799	TCZ	0.8709
800	TWO	0.8707
801	4JJ	0.8707
802	FDR	0.8703
803	O2A	0.8702
804	FPK	0.8702
805	4CL	0.8698
806	45C	0.8697
807	1XA	0.8696
808	XCZ	0.8695
809	P92	0.8695
810	5UC	0.8694
811	QWN	0.8694
812	ISZ	0.8692
813	8WO	0.8691
814	3DO	0.8690
815	ROI	0.8690
816	QSC	0.8687
817	DGJ	0.8685
818	6RQ	0.8684
819	D3M	0.8684
820	8OZ	0.8682
821	RMN	0.8682
822	6KX	0.8680
823	VOH	0.8680
824	MXX	0.8680
825	F4Z	0.8678
826	XXP	0.8676
827	MWJ	0.8674
828	F6P	0.8673
829	MNM	0.8672
830	BR9	0.8672
831	FAN	0.8671
832	47J	0.8671
833	CFI	0.8670
834	64C	0.8670
835	HHR	0.8669
836	GCV	0.8669
837	SF9	0.8668
838	826	0.8667
839	DX3	0.8661
840	OXZ	0.8659
841	DFU	0.8657
842	2KA	0.8656
843	4MA	0.8656
844	3NY	0.8656
845	PBZ	0.8655
846	JZ2	0.8654
847	260	0.8651
848	PZI	0.8650
849	3MH	0.8650
850	JG8	0.8645
851	8ZE	0.8644
852	EV0	0.8643
853	0HO	0.8643
854	15E	0.8643
855	PBA	0.8642
856	7MU	0.8640
857	Z82	0.8639
858	HQJ	0.8632
859	XYL	0.8630
860	2J9	0.8630
861	2ZM	0.8629
862	JU2	0.8627
863	0LH	0.8627
864	TC7	0.8627
865	27Y	0.8626
866	4JO	0.8626
867	TLD	0.8625
868	091	0.8624
869	LZ2	0.8623
870	1Y6	0.8622
871	K37	0.8621
872	9PY	0.8618
873	0R0	0.8617
874	9CA	0.8617
875	FSW	0.8616
876	LYL	0.8616
877	GYP	0.8616
878	GXY	0.8615
879	NLA	0.8610
880	1M2	0.8610
881	Y8I	0.8610
882	174	0.8609
883	6OT	0.8606
884	XQK	0.8603
885	5PX	0.8600
886	PD2	0.8596
887	069	0.8590
888	2BG	0.8590
889	J01	0.8589
890	0HN	0.8587
891	1IT	0.8583
892	6LW	0.8583
893	7D2	0.8582
894	N2I	0.8579
895	OVP	0.8576
896	QXW	0.8571
897	95Z	0.8570
898	4V6	0.8567
899	MR1	0.8566
900	EOL	0.8556
901	MA3	0.8554
902	TNL	0.8553
903	5VJ	0.8549
904	TGX	0.8547
905	5WU	0.8547
906	C9E	0.8547
907	KIF	0.8537
908	DNA	0.8528
909	FBM	0.8519
910	EMZ	0.8510

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

Pocket No.: 1; Query (leader) PDB : 4J3L; Ligand: AJ5; 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: 4j3l.bio1) has 20 residues
No:	Leader PDB	Ligand	Sequence Similarity

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