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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6O4X	2.3 Å	EC: 3.1.1.7	BINARY COMPLEX OF NATIVE HACHE WITH 9-AMINOACRIDINE	HOMO SAPIENS	HYDROLASE
Ref.:	A NEW CRYSTAL FORM OF HUMAN ACETYLCHOLINESTERASE FO EXPLORATORY ROOM-TEMPERATURE CRYSTALLOGRAPHY STUDIE CHEM.BIOL.INTERACT. V. 309 08698 2019

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
AA	B:603; A:605;	Valid; Valid;	none; none;	submit data	195.24	C13 H11 N2	c1ccc...
GOL	B:602; B:601; A:602; A:603; A:601;	Invalid; Invalid; Invalid; Invalid; Invalid;	none; none; none; none; none;	submit data	92.094	C3 H8 O3	C(C(C...
NO3	A:604;	Invalid;	none;	submit data	62.005	N O3	[N+](...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4M0F	2.3 Å	EC: 3.1.1.7	STRUCTURE OF HUMAN ACETYLCHOLINESTERASE IN COMPLEX WITH TERR	HOMO SAPIENS	ACETYLCHOLINESTERASE HYDROLASE HYDROLASE-HYDROLASE INHIBITCOMPLEX
Ref.:	STRUCTURES OF HUMAN ACETYLCHOLINESTERASE BOUND TO DIHYDROTANSHINONE I AND TERRITREM B SHOW PERIPHERAL FLEXIBILITY. ACS MED CHEM LETT V. 4 1091 2013

Members (18)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 5 families.
1	4EY5	-	HUP	C15 H18 N2 O	C/C=C/1[C@....
2	6O4X	-	AA	C13 H11 N2	c1ccc2c(c1....
3	4EY7	-	E20	C24 H29 N O3	COc1cc2c(c....
4	4M0E	Ki = 0.7 uM	1YL	C18 H14 O3	Cc1cccc2c1....
5	6O66	-	LND	C13 H16 N5 O2	c1c[n+](cc....
6	6O50	-	EBW	C27 H38 N2 O	C[N+](C)(C....
7	5HF9	-	HI6	C14 H16 N4 O3	c1cc[n+](c....
8	6U34	Ki = 157 uM	PQV	C10 H19 N3 O2	C1CCCN(CC1....
9	5HFA	-	FP1	C7 H10 N2 O	CN1C=CC=C/....
10	6O5V	-	LND	C13 H16 N5 O2	c1c[n+](cc....
11	4EY6	-	GNT	C17 H21 N O3	C[N@@]1CC[....
12	6CQY	-	VX	C3 H9 O3 P	CCO[P@](=O....
13	6NEA	-	HLO	C15 H17 N5 O4	c1c[n+](cc....
14	4M0F	Ki = 1.7 nM	1YK	C29 H34 O9	C[C@@]12CC....
15	6CQW	Kd = 0.000000064 M	HI6	C14 H16 N4 O3	c1cc[n+](c....
16	6O4W	-	E20	C24 H29 N O3	COc1cc2c(c....
17	6CQU	-	HI6	C14 H16 N4 O3	c1cc[n+](c....
18	6U37	-	PQV	C10 H19 N3 O2	C1CCCN(CC1....

70% Homology Family (118)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	6QAD	ic50 = 14 nM	HUZ	C25 H40 N4 O	CCCCN[C@@H....
2	4B0O	Ki = 7.3 uM	15F	C15 H14 Cl3 N2 O	[H]/N=C(/C....
3	6XTA	ic50 = 2.8 nM	O0Z	C30 H42 N4 O	CCCCN[C@@H....
4	4B0P	Ki = 44 uM	MF5	C14 H10 F5 N2 O	C[n+]1cccc....
5	6SAM	ic50 = 0.0645 uM	L3H	C21 H25 N2 O2	c1ccc(cc1)....
6	6QAB	ic50 = 6.2 nM	HUQ	C26 H42 N3 O	CCCC[N+](C....
7	5NN0	Kd = 11.1 pM	92H	C30 H37 N3 O	CN(C)CCN(C....
8	6QAE	ic50 = 3 nM	HUK	C26 H45 N3	CCCC[NH+](....
9	6I0B	ic50 = 9.1 nM	9A5	C30 H36 Cl N5 O	c1ccc2c(c1....
10	6EQQ	-	H19	C18 H21 Cl N3	c1cc2c(cc1....
11	6R6W	Ki = 18 nM	JUB	C35 H42 N7 O5 S	c1ccc(cc1)....
12	6EQP	Kd = 1.1 uM	BUW	C19 H24 N2 S	CCN(CC)[C@....
13	5DYW	ic50 = 4.9 nM	5HF	C26 H32 N2 O3 S	COCCN(C[C@....
14	1P0P	-	BCH	C9 H20 N O S	CCCC(=O)SC....
15	6R6V	Ki = 88 nM	JU5	C38 H45 N5 O3 S	CCN(CC)c1c....
16	1P0M	-	CHT	C5 H14 N O	C[N+](C)(C....
17	6EP4	Ki = 4.5 uM	DME	C16 H38 N2	C[N+](C)(C....
18	4AQD	-	GLY	C2 H5 N O2	C(C(=O)O)N
19	4BDS	Ki = 25 nM	THA	C13 H14 N2	c1ccc2c(c1....
20	6QAA	ic50 = 22 nM	HUN	C24 H38 N3 O	CCCC[NH2+]....
21	1Q84	Ki = 8900 fM	TZ4	C42 H45 N8	c1ccc(cc1)....
22	4ARB	Kd = 1.3 uM	C57	C17 H26 N4 O4	CCN1CCC[C@....
23	4ARA	Kd = 0.9 uM	C56	C17 H26 N4 O4	CCN1CCC[C@....
24	4B80	ic50 = 40 uM	A36	C13 H21 F N2 O2 S	CCN(CC)CCN....
25	1N5R	Ki = 2.2 uM	PRM	C27 H34 N4	CC[N+](C)(....
26	5EHZ	Ki = 2.3 pM	5NZ	C41 H43 N8	c1ccc(cc1)....
27	2HA6	-	SCK	C14 H30 N2 O4	C[N+](C)(C....
28	2JF0	-	HBP	C19 H26 N4 O2	c1cc[n+](c....
29	4B82	ic50 = 41 uM	B3Z	C12 H19 F N2 O2 S	CCN(CC)CCN....
30	2GYU	-	HI6	C14 H16 N4 O3	c1cc[n+](c....
31	4B7Z	ic50 = 49 uM	Q4Q	C14 H24 N2 O2 S	CCN(CC)CCN....
32	2WHQ	-	HI6	C14 H16 N4 O3	c1cc[n+](c....
33	1J07	Ki = 0.021 uM	DCU	C32 H44 N4	C[N+](C)(C....
34	1N5M	-	GMN	C30 H60 N3 O3	CC[N+](CC)....
35	3ZLV	-	HI6	C14 H16 N4 O3	c1cc[n+](c....
36	5FOQ	-	GC8	C20 H22 Cl2 N2 O2	c1cc(ccc1C....
37	2GYW	-	OBI	C14 H16 N4 O3	c1c[n+](cc....
38	5FUM	-	SOF	C25 H33 N3 O2	CCN1CCN(CC....
39	2HA0	Kd = 0.037 mM	CHH	C8 H18 N O	CC(=O)CCC[....
40	5EIE	Ki = 23000 pM	TZ2	C15 H17 N5	c1ccc2c(c1....
41	4BTL	ic50 = 2.5 uM	5GZ	C18 H22 Cl N3 O5 S	CCN(CC)CCN....
42	4B85	ic50 = 88 uM	B3W	C12 H19 Cl N2 O2 S	CCN(CC)CCN....
43	5FPP	Kd = 100 uM	HI6	C14 H16 N4 O3	c1cc[n+](c....
44	2HA5	-	AT3	C7 H16 N O S	CC(=O)SCC[....
45	2GYV	-	HBP	C19 H26 N4 O2	c1cc[n+](c....
46	5OV9	ic50 = 2.2 uM	CVI	C25 H30 N3	CN(C)c1ccc....
47	2HA2	Kd = 0.022 mM	SCK	C14 H30 N2 O4	C[N+](C)(C....
48	4B83	-	B3V	C13 H22 N2 O3 S	CCN(CC)CCN....
49	4A23	ic50 = 1.3 uM	C56	C17 H26 N4 O4	CCN1CCC[C@....
50	2HA3	Kd = 0.93 mM	CHT	C5 H14 N O	C[N+](C)(C....
51	2WU4	-	HBP	C19 H26 N4 O2	c1cc[n+](c....
52	1ODC	-	A8B	C30 H36 N4	c1ccc2c(c1....
53	1UT6	-	A8N	C21 H33 N3	c1ccc2c(c1....
54	6H14	-	FW8	C35 H35 N9 O2	c1ccc2c(c1....
55	1EVE	ic50 = 5.7 nM	E20	C24 H29 N O3	COc1cc2c(c....
56	1H23	Ki = 4.5 nM	E12	C30 H46 N4 O2	C1C[C@@H](....
57	1QTI	-	GNT	C17 H21 N O3	C[N@@]1CC[....
58	2C4H	-	AT3	C7 H16 N O S	CC(=O)SCC[....
59	2CEK	-	N8T	C34 H41 N3 S	c1ccc2c(c1....
60	2CMF	-	F11	C31 H36 N4	c1ccc2c(c1....
61	6EZG	-	C6K	C24 H27 Cl N2 O2	COc1c2cc[n....
62	2V97	Ki ~ 20 nM	CFQ	C13 H19 As F3 N O3	C[As+](C)(....
63	1VOT	Ki = 250 nM	HUP	C15 H18 N2 O	C/C=C/1[C@....
64	1GPK	Ki = 4.3 uM	HUP	C15 H18 N2 O	C/C=C/1[C@....
65	6H12	-	FJK	C37 H41 N9 O3	c1cc2c(c(c....
66	2WG1	-	FP1	C7 H10 N2 O	CN1C=CC=C/....
67	4TVK	-	TJH	C25 H22 Cl N3 O3	c1cc2c(c(c....
68	2VJB	-	CCD	C8 H20 N O	C[C@H](CCC....
69	3I6Z	-	G6X	C29 H34 N2 O6 S	COc1ccc2c3....
70	2ACK	-	EDR	C10 H16 N O	CC[N+](C)(....
71	2XI4	-	AFT	C17 H12 O6	COc1cc2c(c....
72	5E4T	Ki = 40 nM	MBT	C16 H18 N3 S	CN(C)c1ccc....
73	2C58	-	ETM	C5 H14 N S	C[N+](C)(C....
74	2VJC	-	CHH	C8 H18 N O	CC(=O)CCC[....
75	6G1W	-	E0Z	C27 H25 Cl N6 O3	COc1cc(ccc....
76	5NAP	Ki = 11.12 nM	DZ7	C24 H27 N O3	COc1cc2c(c....
77	1H22	Ki = 0.8 nM	E10	C28 H42 N4 O2	C1C[C@@H](....
78	5BWC	Ki = 0.061 uM	HBP	C19 H26 N4 O2	c1cc[n+](c....
79	1GQR	-	SAF	C10 H15 N O	C[C@@H](c1....
80	1DX6	ic50 = 652 nM	GNT	C17 H21 N O3	C[N@@]1CC[....
81	2VJD	-	CCD	C8 H20 N O	C[C@H](CCC....
82	2V96	Ki = 29 uM	CFQ	C13 H19 As F3 N O3	C[As+](C)(....
83	5NAU	Ki = 29.86 nM	DZ0	C23 H25 N O2	COc1ccc2c(....
84	2VJA	-	CCD	C8 H20 N O	C[C@H](CCC....
85	1GPN	Ki = 0.334 uM	HUB	C16 H20 N2 O	CC1=C[C@H]....
86	6G1U	-	E1K	C14 H16 Cl N2	C[n+]1c2cc....
87	1JJB	-	PE7	C14 H30 O7 S	C(COCCOCCO....
88	6FQN	-	E2W	C23 H27 Cl N4 O2	c1cc2c(cc1....
89	1E66	Ki = 0.13 nM	HUX	C18 H19 Cl N2	CCC1=C[C@@....
90	1ZGC	ic50 = 38.8 nM	A2E	C32 H44 N4 O	c1ccc2c(c1....
91	3I6M	-	G3X	C24 H34 N2 O3	COc1ccc2c3....
92	6FLD	-	NAG	C8 H15 N O6	CC(=O)N[C@....
93	6G1V	-	E1N	C19 H22 Cl N2	CCC1=C[C@@....
94	1ZGB	ic50 = 8.8 nM	A1E	C32 H44 N4 O	c1ccc2c(c1....
95	1W4L	ic50 = 4 nM	GL8	C32 H37 N2 O5	COc1ccc2c3....
96	2C5G	-	ETM	C5 H14 N S	C[N+](C)(C....
97	3ZV7	-	NHG	C11 H14 N2 O	C[C@@]12CC....
98	2CKM	Kd = 77 fM	AA7	C33 H40 N4	c1ccc2c(c1....
99	1W76	ic50 = 702 nM	GNT	C17 H21 N O3	C[N@@]1CC[....
100	1W6R	ic50 = 702 nM	GNT	C17 H21 N O3	C[N@@]1CC[....
101	4EY5	-	HUP	C15 H18 N2 O	C/C=C/1[C@....
102	6O4X	-	AA	C13 H11 N2	c1ccc2c(c1....
103	4EY7	-	E20	C24 H29 N O3	COc1cc2c(c....
104	4M0E	Ki = 0.7 uM	1YL	C18 H14 O3	Cc1cccc2c1....
105	6O66	-	LND	C13 H16 N5 O2	c1c[n+](cc....
106	6O50	-	EBW	C27 H38 N2 O	C[N+](C)(C....
107	5HF9	-	HI6	C14 H16 N4 O3	c1cc[n+](c....
108	6U34	Ki = 157 uM	PQV	C10 H19 N3 O2	C1CCCN(CC1....
109	5HFA	-	FP1	C7 H10 N2 O	CN1C=CC=C/....
110	6O5V	-	LND	C13 H16 N5 O2	c1c[n+](cc....
111	4EY6	-	GNT	C17 H21 N O3	C[N@@]1CC[....
112	6CQY	-	VX	C3 H9 O3 P	CCO[P@](=O....
113	6NEA	-	HLO	C15 H17 N5 O4	c1c[n+](cc....
114	4M0F	Ki = 1.7 nM	1YK	C29 H34 O9	C[C@@]12CC....
115	6CQW	Kd = 0.000000064 M	HI6	C14 H16 N4 O3	c1cc[n+](c....
116	6O4W	-	E20	C24 H29 N O3	COc1cc2c(c....
117	6CQU	-	HI6	C14 H16 N4 O3	c1cc[n+](c....
118	6U37	-	PQV	C10 H19 N3 O2	C1CCCN(CC1....

50% Homology Family (124)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	6QAD	ic50 = 14 nM	HUZ	C25 H40 N4 O	CCCCN[C@@H....
2	4B0O	Ki = 7.3 uM	15F	C15 H14 Cl3 N2 O	[H]/N=C(/C....
3	6XTA	ic50 = 2.8 nM	O0Z	C30 H42 N4 O	CCCCN[C@@H....
4	4B0P	Ki = 44 uM	MF5	C14 H10 F5 N2 O	C[n+]1cccc....
5	6SAM	ic50 = 0.0645 uM	L3H	C21 H25 N2 O2	c1ccc(cc1)....
6	6QAB	ic50 = 6.2 nM	HUQ	C26 H42 N3 O	CCCC[N+](C....
7	5NN0	Kd = 11.1 pM	92H	C30 H37 N3 O	CN(C)CCN(C....
8	6QAE	ic50 = 3 nM	HUK	C26 H45 N3	CCCC[NH+](....
9	6I0B	ic50 = 9.1 nM	9A5	C30 H36 Cl N5 O	c1ccc2c(c1....
10	6EQQ	-	H19	C18 H21 Cl N3	c1cc2c(cc1....
11	6R6W	Ki = 18 nM	JUB	C35 H42 N7 O5 S	c1ccc(cc1)....
12	6EQP	Kd = 1.1 uM	BUW	C19 H24 N2 S	CCN(CC)[C@....
13	5DYW	ic50 = 4.9 nM	5HF	C26 H32 N2 O3 S	COCCN(C[C@....
14	1P0P	-	BCH	C9 H20 N O S	CCCC(=O)SC....
15	6R6V	Ki = 88 nM	JU5	C38 H45 N5 O3 S	CCN(CC)c1c....
16	1P0M	-	CHT	C5 H14 N O	C[N+](C)(C....
17	6EP4	Ki = 4.5 uM	DME	C16 H38 N2	C[N+](C)(C....
18	4AQD	-	GLY	C2 H5 N O2	C(C(=O)O)N
19	4BDS	Ki = 25 nM	THA	C13 H14 N2	c1ccc2c(c1....
20	6QAA	ic50 = 22 nM	HUN	C24 H38 N3 O	CCCC[NH2+]....
21	5EHQ	Ki = 33 pM	5O2	C41 H43 N8	c1ccc(cc1)....
22	1Q84	Ki = 8900 fM	TZ4	C42 H45 N8	c1ccc(cc1)....
23	4ARB	Kd = 1.3 uM	C57	C17 H26 N4 O4	CCN1CCC[C@....
24	4ARA	Kd = 0.9 uM	C56	C17 H26 N4 O4	CCN1CCC[C@....
25	4B80	ic50 = 40 uM	A36	C13 H21 F N2 O2 S	CCN(CC)CCN....
26	1N5R	Ki = 2.2 uM	PRM	C27 H34 N4	CC[N+](C)(....
27	5EHZ	Ki = 2.3 pM	5NZ	C41 H43 N8	c1ccc(cc1)....
28	2HA6	-	SCK	C14 H30 N2 O4	C[N+](C)(C....
29	2JF0	-	HBP	C19 H26 N4 O2	c1cc[n+](c....
30	4B82	ic50 = 41 uM	B3Z	C12 H19 F N2 O2 S	CCN(CC)CCN....
31	2GYU	-	HI6	C14 H16 N4 O3	c1cc[n+](c....
32	4B7Z	ic50 = 49 uM	Q4Q	C14 H24 N2 O2 S	CCN(CC)CCN....
33	2WHQ	-	HI6	C14 H16 N4 O3	c1cc[n+](c....
34	1J07	Ki = 0.021 uM	DCU	C32 H44 N4	C[N+](C)(C....
35	1N5M	-	GMN	C30 H60 N3 O3	CC[N+](CC)....
36	3ZLV	-	HI6	C14 H16 N4 O3	c1cc[n+](c....
37	5FOQ	-	GC8	C20 H22 Cl2 N2 O2	c1cc(ccc1C....
38	2GYW	-	OBI	C14 H16 N4 O3	c1c[n+](cc....
39	5FUM	-	SOF	C25 H33 N3 O2	CCN1CCN(CC....
40	2HA0	Kd = 0.037 mM	CHH	C8 H18 N O	CC(=O)CCC[....
41	5EIE	Ki = 23000 pM	TZ2	C15 H17 N5	c1ccc2c(c1....
42	4BTL	ic50 = 2.5 uM	5GZ	C18 H22 Cl N3 O5 S	CCN(CC)CCN....
43	4B85	ic50 = 88 uM	B3W	C12 H19 Cl N2 O2 S	CCN(CC)CCN....
44	5FPP	Kd = 100 uM	HI6	C14 H16 N4 O3	c1cc[n+](c....
45	2HA5	-	AT3	C7 H16 N O S	CC(=O)SCC[....
46	2GYV	-	HBP	C19 H26 N4 O2	c1cc[n+](c....
47	5OV9	ic50 = 2.2 uM	CVI	C25 H30 N3	CN(C)c1ccc....
48	2HA2	Kd = 0.022 mM	SCK	C14 H30 N2 O4	C[N+](C)(C....
49	4B83	-	B3V	C13 H22 N2 O3 S	CCN(CC)CCN....
50	4A23	ic50 = 1.3 uM	C56	C17 H26 N4 O4	CCN1CCC[C@....
51	2HA3	Kd = 0.93 mM	CHT	C5 H14 N O	C[N+](C)(C....
52	2WU4	-	HBP	C19 H26 N4 O2	c1cc[n+](c....
53	1ODC	-	A8B	C30 H36 N4	c1ccc2c(c1....
54	1UT6	-	A8N	C21 H33 N3	c1ccc2c(c1....
55	6H14	-	FW8	C35 H35 N9 O2	c1ccc2c(c1....
56	1EVE	ic50 = 5.7 nM	E20	C24 H29 N O3	COc1cc2c(c....
57	1H23	Ki = 4.5 nM	E12	C30 H46 N4 O2	C1C[C@@H](....
58	1QTI	-	GNT	C17 H21 N O3	C[N@@]1CC[....
59	2C4H	-	AT3	C7 H16 N O S	CC(=O)SCC[....
60	2CEK	-	N8T	C34 H41 N3 S	c1ccc2c(c1....
61	2CMF	-	F11	C31 H36 N4	c1ccc2c(c1....
62	6EZG	-	C6K	C24 H27 Cl N2 O2	COc1c2cc[n....
63	2V97	Ki ~ 20 nM	CFQ	C13 H19 As F3 N O3	C[As+](C)(....
64	1VOT	Ki = 250 nM	HUP	C15 H18 N2 O	C/C=C/1[C@....
65	1GPK	Ki = 4.3 uM	HUP	C15 H18 N2 O	C/C=C/1[C@....
66	6H12	-	FJK	C37 H41 N9 O3	c1cc2c(c(c....
67	2WG1	-	FP1	C7 H10 N2 O	CN1C=CC=C/....
68	4TVK	-	TJH	C25 H22 Cl N3 O3	c1cc2c(c(c....
69	2VJB	-	CCD	C8 H20 N O	C[C@H](CCC....
70	3I6Z	-	G6X	C29 H34 N2 O6 S	COc1ccc2c3....
71	2ACK	-	EDR	C10 H16 N O	CC[N+](C)(....
72	2XI4	-	AFT	C17 H12 O6	COc1cc2c(c....
73	5E4T	Ki = 40 nM	MBT	C16 H18 N3 S	CN(C)c1ccc....
74	2C58	-	ETM	C5 H14 N S	C[N+](C)(C....
75	2VJC	-	CHH	C8 H18 N O	CC(=O)CCC[....
76	6G1W	-	E0Z	C27 H25 Cl N6 O3	COc1cc(ccc....
77	5NAP	Ki = 11.12 nM	DZ7	C24 H27 N O3	COc1cc2c(c....
78	1H22	Ki = 0.8 nM	E10	C28 H42 N4 O2	C1C[C@@H](....
79	5BWC	Ki = 0.061 uM	HBP	C19 H26 N4 O2	c1cc[n+](c....
80	1GQR	-	SAF	C10 H15 N O	C[C@@H](c1....
81	1DX6	ic50 = 652 nM	GNT	C17 H21 N O3	C[N@@]1CC[....
82	2VJD	-	CCD	C8 H20 N O	C[C@H](CCC....
83	2V96	Ki = 29 uM	CFQ	C13 H19 As F3 N O3	C[As+](C)(....
84	5NAU	Ki = 29.86 nM	DZ0	C23 H25 N O2	COc1ccc2c(....
85	2VJA	-	CCD	C8 H20 N O	C[C@H](CCC....
86	1GPN	Ki = 0.334 uM	HUB	C16 H20 N2 O	CC1=C[C@H]....
87	6G1U	-	E1K	C14 H16 Cl N2	C[n+]1c2cc....
88	1JJB	-	PE7	C14 H30 O7 S	C(COCCOCCO....
89	6FQN	-	E2W	C23 H27 Cl N4 O2	c1cc2c(cc1....
90	1E66	Ki = 0.13 nM	HUX	C18 H19 Cl N2	CCC1=C[C@@....
91	1ZGC	ic50 = 38.8 nM	A2E	C32 H44 N4 O	c1ccc2c(c1....
92	3I6M	-	G3X	C24 H34 N2 O3	COc1ccc2c3....
93	6FLD	-	NAG	C8 H15 N O6	CC(=O)N[C@....
94	6G1V	-	E1N	C19 H22 Cl N2	CCC1=C[C@@....
95	1ZGB	ic50 = 8.8 nM	A1E	C32 H44 N4 O	c1ccc2c(c1....
96	1W4L	ic50 = 4 nM	GL8	C32 H37 N2 O5	COc1ccc2c3....
97	2C5G	-	ETM	C5 H14 N S	C[N+](C)(C....
98	3ZV7	-	NHG	C11 H14 N2 O	C[C@@]12CC....
99	2CKM	Kd = 77 fM	AA7	C33 H40 N4	c1ccc2c(c1....
100	1W76	ic50 = 702 nM	GNT	C17 H21 N O3	C[N@@]1CC[....
101	1W6R	ic50 = 702 nM	GNT	C17 H21 N O3	C[N@@]1CC[....
102	1MX1	-	THA	C13 H14 N2	c1ccc2c(c1....
103	2H7C	-	SIA	C11 H19 N O9	CC(=O)N[C@....
104	1K4Y	-	4PN	C10 H20 N2	C1CCN(CC1)....
105	4EY5	-	HUP	C15 H18 N2 O	C/C=C/1[C@....
106	6O4X	-	AA	C13 H11 N2	c1ccc2c(c1....
107	4EY7	-	E20	C24 H29 N O3	COc1cc2c(c....
108	4M0E	Ki = 0.7 uM	1YL	C18 H14 O3	Cc1cccc2c1....
109	6O66	-	LND	C13 H16 N5 O2	c1c[n+](cc....
110	6O50	-	EBW	C27 H38 N2 O	C[N+](C)(C....
111	5HF9	-	HI6	C14 H16 N4 O3	c1cc[n+](c....
112	6U34	Ki = 157 uM	PQV	C10 H19 N3 O2	C1CCCN(CC1....
113	5HFA	-	FP1	C7 H10 N2 O	CN1C=CC=C/....
114	6O5V	-	LND	C13 H16 N5 O2	c1c[n+](cc....
115	4EY6	-	GNT	C17 H21 N O3	C[N@@]1CC[....
116	6CQY	-	VX	C3 H9 O3 P	CCO[P@](=O....
117	6NEA	-	HLO	C15 H17 N5 O4	c1c[n+](cc....
118	4M0F	Ki = 1.7 nM	1YK	C29 H34 O9	C[C@@]12CC....
119	6CQW	Kd = 0.000000064 M	HI6	C14 H16 N4 O3	c1cc[n+](c....
120	6O4W	-	E20	C24 H29 N O3	COc1cc2c(c....
121	6CQU	-	HI6	C14 H16 N4 O3	c1cc[n+](c....
122	6U37	-	PQV	C10 H19 N3 O2	C1CCCN(CC1....
123	6ARX	-	FLC	C6 H5 O7	C(C(=O)[O-....
124	6ARY	-	FLC	C6 H5 O7	C(C(=O)[O-....

Polypharmacology

Similar Ligands (2D)

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

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

Similar Ligands (3D)

Ligand no: 1; Ligand: AA; Similar ligands found: 813

No:	Ligand	Similarity coefficient
1	ANF	1.0000
2	THA	0.9983
3	3J8	0.9839
4	AN3	0.9824
5	PEY	0.9769
6	1HN	0.9756
7	GJP	0.9734
8	8MO	0.9721
9	DRG	0.9716
10	DNA	0.9714
11	4RU	0.9711
12	30G	0.9709
13	9FL	0.9690
14	H5B	0.9665
15	6QF	0.9658
16	1IT	0.9657
17	9CA	0.9656
18	KYA	0.9646
19	ZYR	0.9627
20	DPT	0.9619
21	ANC	0.9617
22	BZJ	0.9616
23	6FB	0.9598
24	E1K	0.9595
25	CH9	0.9592
26	PJW	0.9582
27	LDR	0.9560
28	15N	0.9560
29	9AP	0.9555
30	5VL	0.9551
31	E1T	0.9550
32	0JD	0.9543
33	27B	0.9542
34	2FQ	0.9521
35	537	0.9508
36	JG8	0.9502
37	ST2	0.9500
38	X0U	0.9490
39	GNM	0.9481
40	BPY	0.9472
41	FDR	0.9457
42	4KL	0.9456
43	FQX	0.9447
44	344	0.9423
45	0N7	0.9418
46	CKA	0.9415
47	8XL	0.9409
48	6NT	0.9400
49	SLS	0.9399
50	N1E	0.9399
51	54X	0.9398
52	BIK	0.9394
53	N0Z	0.9390
54	0HO	0.9390
55	5TY	0.9389
56	HQD	0.9387
57	PRL	0.9386
58	GO2	0.9383
59	1VK	0.9368
60	8HC	0.9367
61	2KA	0.9364
62	0FK	0.9362
63	6KT	0.9360
64	9UL	0.9360
65	2K8	0.9349
66	PH2	0.9349
67	0HN	0.9349
68	12T	0.9348
69	AZ9	0.9344
70	TIY	0.9343
71	9ZE	0.9341
72	68A	0.9341
73	1F1	0.9337
74	2HU	0.9336
75	C2Y	0.9332
76	M5H	0.9332
77	B56	0.9331
78	MD6	0.9331
79	3A9	0.9331
80	JAW	0.9326
81	92P	0.9323
82	5NI	0.9320
83	6NI	0.9317
84	2ZM	0.9317
85	3R4	0.9316
86	9R5	0.9316
87	J9Q	0.9310
88	3NY	0.9308
89	BGC	0.9307
90	ABI	0.9304
91	HA5	0.9301
92	97T	0.9296
93	OQC	0.9296
94	BA5	0.9293
95	JB8	0.9292
96	JDN	0.9287
97	M4E	0.9286
98	2JK	0.9285
99	OTW	0.9284
100	D48	0.9284
101	363	0.9283
102	CLZ	0.9281
103	DQU	0.9279
104	4TU	0.9275
105	44W	0.9274
106	KMY	0.9274
107	3PF	0.9273
108	8ZE	0.9273
109	LL1	0.9271
110	Z5P	0.9269
111	3QV	0.9268
112	ESX	0.9266
113	XHP	0.9265
114	ESP	0.9265
115	2LY	0.9261
116	HHS	0.9260
117	9KT	0.9260
118	LI6	0.9258
119	AJY	0.9256
120	BZ2	0.9256
121	QX4	0.9256
122	B62	0.9255
123	X11	0.9253
124	1A7	0.9253
125	1KP	0.9252
126	0F9	0.9250
127	X8D	0.9238
128	5QY	0.9228
129	S60	0.9224
130	BEA	0.9221
131	4BL	0.9220
132	6VD	0.9216
133	X48	0.9215
134	JTA	0.9211
135	IQZ	0.9210
136	TOF	0.9210
137	V1T	0.9208
138	0FO	0.9206
139	15E	0.9203
140	BGU	0.9203
141	MVN	0.9202
142	DK1	0.9201
143	4I8	0.9201
144	6BL	0.9200
145	ICB	0.9200
146	TT4	0.9196
147	5VJ	0.9196
148	3VX	0.9194
149	209	0.9194
150	J5I	0.9192
151	HHR	0.9191
152	VK3	0.9191
153	6ME	0.9190
154	GNV	0.9189
155	4BY	0.9189
156	PRF	0.9189
157	CK2	0.9188
158	94W	0.9187
159	EN1	0.9187
160	G3E	0.9186
161	2FY	0.9186
162	0BP	0.9185
163	JP2	0.9183
164	SE2	0.9182
165	5RO	0.9182
166	SKF	0.9180
167	M2K	0.9179
168	RXA	0.9178
169	NID	0.9178
170	ESI	0.9176
171	BPU	0.9171
172	4JQ	0.9168
173	8NX	0.9168
174	2GQ	0.9165
175	4NB	0.9164
176	MSR	0.9163
177	CWJ	0.9159
178	N91	0.9157
179	HRM	0.9156
180	NQ	0.9156
181	NDG	0.9154
182	SNO	0.9154
183	G12	0.9153
184	XCG	0.9152
185	NAG	0.9151
186	TXW	0.9150
187	LQ2	0.9148
188	AJV	0.9147
189	MQN	0.9146
190	39O	0.9146
191	DNF	0.9143
192	UFO	0.9142
193	EA1	0.9142
194	44V	0.9140
195	TMG	0.9139
196	MS9	0.9137
197	BP7	0.9134
198	9TF	0.9132
199	N8Y	0.9125
200	S0E	0.9124
201	2HC	0.9120
202	5RN	0.9120
203	GF4	0.9117
204	52C	0.9116
205	KDV	0.9115
206	INE	0.9114
207	ODO	0.9114
208	ZSP	0.9114
209	5GT	0.9113
210	DNC	0.9113
211	ITE	0.9113
212	BNL	0.9112
213	0TU	0.9111
214	LFN	0.9109
215	28N	0.9108
216	N2I	0.9108
217	9FE	0.9107
218	3ZB	0.9105
219	ICO	0.9102
220	428	0.9101
221	0FR	0.9100
222	HBO	0.9098
223	2O6	0.9094
224	4MU	0.9093
225	NRA	0.9090
226	ONR	0.9088
227	E3X	0.9086
228	UNJ	0.9084
229	TTL	0.9080
230	7W1	0.9079
231	37T	0.9078
232	TZF	0.9077
233	AY4	0.9075
234	8WO	0.9074
235	6RQ	0.9073
236	AJ2	0.9071
237	SNU	0.9069
238	BIO	0.9068
239	TCR	0.9066
240	XAZ	0.9065
241	ROI	0.9065
242	5V7	0.9063
243	H33	0.9062
244	1QP	0.9061
245	KTW	0.9061
246	PYQ	0.9060
247	IAC	0.9060
248	E7S	0.9060
249	CNI	0.9059
250	0XT	0.9057
251	QBK	0.9055
252	4ME	0.9055
253	KTJ	0.9052
254	LZ2	0.9051
255	F4E	0.9051
256	GLC	0.9050
257	4YO	0.9049
258	4BZ	0.9048
259	0FN	0.9047
260	DX3	0.9047
261	Q24	0.9045
262	AQO	0.9044
263	M5K	0.9043
264	5QX	0.9042
265	4AA	0.9041
266	J9W	0.9041
267	QPR	0.9040
268	MEW	0.9040
269	7MX	0.9040
270	5WY	0.9038
271	A5E	0.9037
272	226	0.9035
273	FLV	0.9035
274	9KZ	0.9035
275	M6N	0.9033
276	K44	0.9033
277	M1Q	0.9031
278	PE0	0.9031
279	92K	0.9031
280	5NS	0.9030
281	Y3L	0.9030
282	Z21	0.9029
283	II4	0.9029
284	MAJ	0.9028
285	HNT	0.9027
286	N2M	0.9026
287	H4B	0.9026
288	8W9	0.9024
289	QQQ	0.9020
290	3AE	0.9019
291	AP4	0.9017
292	L22	0.9017
293	KJU	0.9013
294	BTY	0.9012
295	A29	0.9012
296	SYV	0.9010
297	BZ3	0.9010
298	12Q	0.9010
299	3VS	0.9010
300	URC	0.9008
301	4HC	0.9008
302	TXQ	0.9008
303	7ZE	0.9006
304	P9E	0.9005
305	IOS	0.9002
306	AZ8	0.8999
307	IV2	0.8999
308	PNZ	0.8998
309	7FF	0.8996
310	TTY	0.8995
311	PD2	0.8994
312	2ZQ	0.8992
313	QIV	0.8991
314	PPY	0.8990
315	3VQ	0.8990
316	5E5	0.8987
317	LEL	0.8987
318	VUP	0.8987
319	E7Z	0.8986
320	HQT	0.8986
321	2AK	0.8985
322	SRO	0.8984
323	BK9	0.8982
324	7B3	0.8982
325	BQ2	0.8982
326	H42	0.8981
327	BZE	0.8980
328	5OB	0.8979
329	1DR	0.8979
330	DNQ	0.8977
331	CTL	0.8977
332	AMR	0.8971
333	582	0.8969
334	75K	0.8966
335	6FZ	0.8964
336	EVF	0.8963
337	I6G	0.8962
338	6TZ	0.8961
339	5JQ	0.8961
340	APS	0.8960
341	SKA	0.8958
342	4HB	0.8957
343	LUM	0.8956
344	CFF	0.8956
345	36E	0.8956
346	2HQ	0.8955
347	M6Z	0.8954
348	GVG	0.8954
349	49O	0.8952
350	ARP	0.8951
351	E5X	0.8949
352	CPZ	0.8949
353	ANN	0.8949
354	KF5	0.8949
355	EV2	0.8947
356	CSN	0.8946
357	KJH	0.8946
358	4V2	0.8945
359	TWO	0.8945
360	RNO	0.8945
361	QMS	0.8945
362	KW8	0.8944
363	PQ0	0.8944
364	5XC	0.8943
365	MUA	0.8943
366	PRZ	0.8943
367	PMP	0.8941
368	EMO	0.8941
369	8G0	0.8941
370	S7J	0.8941
371	APZ	0.8941
372	LR5	0.8940
373	7O4	0.8939
374	G14	0.8939
375	JCZ	0.8938
376	5GU	0.8937
377	PDC	0.8936
378	5GV	0.8934
379	A7H	0.8933
380	FBF	0.8932
381	5LA	0.8930
382	A5H	0.8926
383	4Z4	0.8925
384	4WL	0.8925
385	78Y	0.8924
386	WS7	0.8923
387	SYA	0.8922
388	5F5	0.8922
389	IWT	0.8922
390	EXD	0.8919
391	HX4	0.8919
392	8TX	0.8918
393	F31	0.8918
394	B55	0.8917
395	2FX	0.8916
396	K32	0.8916
397	J6W	0.8915
398	GZL	0.8915
399	VC3	0.8915
400	2F6	0.8914
401	PXL	0.8914
402	K2T	0.8914
403	03V	0.8914
404	JU2	0.8913
405	HQJ	0.8913
406	M78	0.8912
407	K7H	0.8910
408	BHQ	0.8910
409	COU	0.8910
410	2QC	0.8909
411	4ZA	0.8907
412	ZHA	0.8906
413	FBB	0.8905
414	FF2	0.8905
415	EUE	0.8904
416	0GZ	0.8904
417	7I2	0.8903
418	HBI	0.8903
419	FHC	0.8903
420	EWG	0.8902
421	4LW	0.8902
422	FA0	0.8901
423	JWS	0.8901
424	TGX	0.8900
425	2BG	0.8900
426	OCH	0.8900
427	GNY	0.8898
428	GVY	0.8897
429	JLZ	0.8897
430	ES5	0.8897
431	XM5	0.8896
432	535	0.8895
433	1WC	0.8894
434	BHA	0.8893
435	BNX	0.8893
436	PQK	0.8890
437	HLD	0.8889
438	4FS	0.8889
439	2AQ	0.8888
440	67X	0.8887
441	BDP	0.8886
442	5NE	0.8886
443	86J	0.8886
444	DIN	0.8884
445	FDB	0.8883
446	IQ5	0.8882
447	ZEC	0.8881
448	MNY	0.8881
449	MPV	0.8881
450	5JL	0.8880
451	MOK	0.8879
452	NDH	0.8879
453	LT2	0.8879
454	NOJ	0.8878
455	F2W	0.8877
456	7ME	0.8877
457	5CU	0.8876
458	4M0	0.8875
459	4AN	0.8874
460	K22	0.8871
461	QMR	0.8871
462	1Z6	0.8870
463	INO	0.8870
464	PHH	0.8869
465	ZME	0.8868
466	OA3	0.8868
467	B57	0.8867
468	NLA	0.8867
469	DOB	0.8866
470	ZZA	0.8866
471	M3E	0.8866
472	657	0.8863
473	4P5	0.8862
474	VM1	0.8861
475	JBZ	0.8861
476	VXX	0.8860
477	ET2	0.8859
478	4NZ	0.8859
479	JB5	0.8858
480	64C	0.8858
481	5NU	0.8857
482	R20	0.8856
483	GDL	0.8856
484	N3W	0.8855
485	JTH	0.8854
486	DHB	0.8854
487	OW7	0.8854
488	TEP	0.8853
489	L5V	0.8852
490	A7W	0.8852
491	Q0K	0.8851
492	Q71	0.8850
493	MAQ	0.8849
494	7WR	0.8848
495	WUB	0.8846
496	MXD	0.8846
497	NCT	0.8846
498	XIY	0.8846
499	RD4	0.8846
500	ES2	0.8845
501	UAN	0.8844
502	PIY	0.8844
503	2WU	0.8843
504	MUR	0.8841
505	MHK	0.8840
506	JR2	0.8839
507	XFE	0.8838
508	61M	0.8838
509	IBM	0.8838
510	JYB	0.8837
511	F9Y	0.8836
512	ODK	0.8836
513	DRL	0.8836
514	3GQ	0.8835
515	FHB	0.8834
516	CTS	0.8834
517	S98	0.8834
518	N2Z	0.8833
519	2J1	0.8832
520	ENO	0.8831
521	CX6	0.8830
522	GDE	0.8830
523	3Y7	0.8830
524	22L	0.8830
525	QWW	0.8829
526	I3E	0.8829
527	GNJ	0.8828
528	PLP	0.8828
529	8D6	0.8827
530	R9Y	0.8826
531	0W1	0.8825
532	20J	0.8825
533	WS6	0.8825
534	CLW	0.8824
535	W81	0.8823
536	NNO	0.8822
537	KIB	0.8821
538	QX2	0.8821
539	8CM	0.8819
540	36Y	0.8818
541	PUE	0.8818
542	JF2	0.8817
543	27M	0.8815
544	MRW	0.8815
545	0P6	0.8813
546	36R	0.8813
547	S0D	0.8813
548	SG2	0.8812
549	GO8	0.8812
550	4A3	0.8812
551	HDH	0.8811
552	TSS	0.8811
553	K25	0.8810
554	C53	0.8810
555	2HO	0.8809
556	4NC	0.8809
557	B60	0.8806
558	K68	0.8804
559	VNL	0.8803
560	2PK	0.8801
561	KJ5	0.8800
562	JF1	0.8800
563	OVM	0.8798
564	BZQ	0.8798
565	6ZW	0.8798
566	7VS	0.8797
567	SJK	0.8796
568	VGD	0.8794
569	GZ2	0.8793
570	3ID	0.8792
571	93K	0.8792
572	DXK	0.8792
573	0SY	0.8791
574	JRO	0.8791
575	NGT	0.8790
576	2PV	0.8790
577	L7T	0.8789
578	ALE	0.8787
579	PX7	0.8787
580	JY4	0.8787
581	KUF	0.8787
582	0UL	0.8786
583	KGK	0.8785
584	TYL	0.8785
585	PIM	0.8784
586	1P8	0.8784
587	1M2	0.8784
588	3HM	0.8781
589	5VM	0.8780
590	L46	0.8780
591	MS0	0.8780
592	ZRK	0.8779
593	JA8	0.8779
594	MO8	0.8778
595	173	0.8777
596	DX7	0.8777
597	FUD	0.8776
598	1L5	0.8774
599	KJY	0.8774
600	GHM	0.8773
601	MYJ	0.8773
602	S8A	0.8773
603	FZM	0.8772
604	P9P	0.8771
605	CHB	0.8770
606	DMD	0.8768
607	WV7	0.8768
608	TBS	0.8766
609	GAL	0.8766
610	WSD	0.8764
611	549	0.8763
612	KYN	0.8760
613	XI7	0.8760
614	39Z	0.8759
615	3VW	0.8756
616	680	0.8755
617	Q77	0.8755
618	HKD	0.8754
619	NGA	0.8754
620	J9N	0.8753
621	L99	0.8752
622	CHQ	0.8749
623	CWS	0.8747
624	X05	0.8746
625	5WV	0.8742
626	8IG	0.8742
627	AM4	0.8741
628	7VP	0.8740
629	2D3	0.8740
630	8WT	0.8737
631	8G6	0.8737
632	MZM	0.8736
633	DDU	0.8736
634	2JX	0.8733
635	DPZ	0.8732
636	9TW	0.8732
637	M0W	0.8731
638	7NI	0.8731
639	I3A	0.8731
640	BSP	0.8729
641	M0Q	0.8729
642	M1H	0.8729
643	B5D	0.8726
644	QBP	0.8721
645	K37	0.8719
646	D3G	0.8719
647	EAE	0.8719
648	Q6T	0.8717
649	4NP	0.8717
650	OA1	0.8716
651	YE7	0.8715
652	SKM	0.8715
653	4NM	0.8711
654	5AD	0.8711
655	7MW	0.8710
656	ZYQ	0.8706
657	A2G	0.8706
658	2D2	0.8705
659	HNQ	0.8702
660	QSH	0.8701
661	3DM	0.8697
662	9CE	0.8696
663	FGZ	0.8695
664	6X9	0.8693
665	BBK	0.8693
666	4MB	0.8690
667	8NB	0.8690
668	X0W	0.8690
669	X09	0.8690
670	878	0.8687
671	F4K	0.8686
672	9NB	0.8684
673	795	0.8679
674	8XQ	0.8679
675	5TZ	0.8677
676	MNS	0.8676
677	Q7A	0.8675
678	56D	0.8674
679	42C	0.8672
680	IHB	0.8671
681	259	0.8671
682	4AU	0.8671
683	ZVO	0.8671
684	QSB	0.8669
685	4CM	0.8669
686	PIQ	0.8668
687	9BF	0.8667
688	KP2	0.8664
689	4NS	0.8663
690	L07	0.8660
691	MR1	0.8659
692	NGO	0.8659
693	NDD	0.8659
694	YH7	0.8659
695	KLK	0.8658
696	9X5	0.8657
697	QWN	0.8655
698	G1P	0.8655
699	PFB	0.8653
700	JAH	0.8653
701	9DG	0.8653
702	E3D	0.8652
703	K17	0.8651
704	M45	0.8650
705	X0V	0.8650
706	6E8	0.8645
707	J9T	0.8645
708	KT7	0.8644
709	12B	0.8642
710	F5C	0.8642
711	R6T	0.8641
712	TRP	0.8641
713	JUG	0.8641
714	M3H	0.8640
715	H70	0.8640
716	SHA	0.8640
717	OW4	0.8638
718	0NX	0.8636
719	67N	0.8636
720	4JT	0.8635
721	0J4	0.8634
722	JRB	0.8634
723	MXX	0.8633
724	YZ9	0.8632
725	MPK	0.8631
726	AKH	0.8631
727	XQ0	0.8627
728	NVU	0.8627
729	5WT	0.8625
730	CUE	0.8623
731	7FU	0.8622
732	AZA	0.8621
733	K6X	0.8621
734	ES7	0.8619
735	XQK	0.8617
736	DHK	0.8617
737	21D	0.8616
738	YZM	0.8615
739	K82	0.8615
740	QXW	0.8614
741	KKN	0.8614
742	1XM	0.8611
743	AJ1	0.8611
744	PBA	0.8611
745	RH1	0.8610
746	XAN	0.8607
747	3IT	0.8606
748	GUN	0.8605
749	1ZC	0.8603
750	5OF	0.8602
751	F69	0.8602
752	ISN	0.8599
753	2LW	0.8599
754	IL5	0.8598
755	5OO	0.8597
756	GI3	0.8597
757	G1O	0.8597
758	2P3	0.8593
759	M1Z	0.8592
760	6AP	0.8590
761	19E	0.8588
762	GSY	0.8587
763	774	0.8586
764	CFA	0.8586
765	M4S	0.8585
766	F1A	0.8583
767	THM	0.8583
768	O2A	0.8582
769	DEE	0.8580
770	IGA	0.8580
771	I4D	0.8580
772	U7E	0.8577
773	6GU	0.8576
774	LNR	0.8576
775	9MG	0.8575
776	OCZ	0.8575
777	P0P	0.8575
778	M1A	0.8574
779	P4L	0.8574
780	F12	0.8572
781	141	0.8571
782	A2F	0.8570
783	B53	0.8569
784	BOA	0.8568
785	2UZ	0.8564
786	96U	0.8562
787	2A9	0.8560
788	2D0	0.8556
789	3W8	0.8556
790	1X8	0.8555
791	82I	0.8553
792	EGR	0.8553
793	505	0.8550
794	A1Y	0.8550
795	IPB	0.8550
796	YE6	0.8549
797	NDM	0.8548
798	7MK	0.8548
799	RSV	0.8547
800	LP8	0.8546
801	M3Q	0.8546
802	3HA	0.8544
803	32X	0.8543
804	AZG	0.8541
805	UFV	0.8540
806	GIM	0.8540
807	7W4	0.8540
808	PFL	0.8535
809	0CU	0.8534
810	3R6	0.8533
811	DX4	0.8530
812	9OF	0.8520
813	3F0	0.8520

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

Pocket No.: 1; Query (leader) PDB : 4M0F; Ligand: 1YK; 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: 4m0f.bio1) has 32 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 4M0F; Ligand: 1YK; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 2) in the query (biounit: 4m0f.bio1) has 31 residues
No:	Leader PDB	Ligand	Sequence Similarity

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