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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4nrc	1.86 Å	NON-ENZYME: OTHER	CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BAZ2B IN COMPL COMPOUND-3 N01186	HOMO SAPIENS	SGC STRUCTURAL GENOMICS CONSORTIUM TRANSCRIPTION BROMODOMACETYLATED LYSINE BINDING PROTEIN KIAA1476 WALP4
Ref.:	TARGETING LOW-DRUGGABILITY BROMODOMAINS: FRAGMENT B SCREENING AND INHIBITOR DESIGN AGAINST THE BAZ2B BROMODOMAIN. J.MED.CHEM. V. 56 10183 2013

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
EDO	A:2003; A:2002;	Invalid; Invalid;	none; none;	submit data	62.068	C2 H6 O2	C(CO)...
2LY	A:2001;	Valid;	none;	ic50 = 241 uM	199.227	C8 H9 N O3 S	CNC(=...
15P	A:2004;	Invalid;	none;	submit data	1529.83	C69 H140 O35	COCCO...

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90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4XUB	1.98 Å	NON-ENZYME: OTHER	CRYSTAL STRUCTURE OF THE BROMODOMAIN OF HUMAN BAZ2B IN COMPL BAZ2-ICR CHEMICAL PROBE	HOMO SAPIENS	TRANSCRIPTION BROMODOMAIN ACETYLATED LYSINE BINDING PROTEIKIAA1476 WALP4 SGC STRUCTURAL GENOMICS CONSORTIUM
Ref.:	STRUCTURE ENABLED DESIGN OF BAZ2-ICR, A CHEMICAL PR TARGETING THE BROMODOMAINS OF BAZ2A AND BAZ2B. J.MED.CHEM. V. 58 2553 2015

Members (23)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1610 families.
1	4XUB	ic50 = 1.07 uM	43D	C19 H18 N8	Cc1cn(nn1)....
2	4XUA	ic50 = 26 uM	43C	C21 H18 N6	Cc1cn(nn1)....
3	5MGF	Kd = 54 uM	7MW	C9 H11 N O3	CCC(=O)c1c....
4	5E9I	-	F60	C8 H7 N O	c1cc(cc2c1....
5	6FGT	-	D9T	C14 H21 N3 O2	CN1C=C(C=C....
6	4NRB	ic50 = 38 uM	2LX	C13 H17 N O3	CNC(=O)c1c....
7	6FH6	-	D8Q	C9 H13 N3 O2	CN1C=C(C=C....
8	5MGG	-	7MU	C7 H7 Cl N2 O	CNC(=O)c1c....
9	5ORB	-	JR6	C16 H19 N3 O2 S	Cn1c(c2c(n....
10	4NRC	ic50 = 241 uM	2LY	C8 H9 N O3 S	CNC(=O)c1c....
11	6FH7	-	EN2	C17 H18 F N3 O3	CN1C=C(C=C....
12	5E9K	-	5KX	C3 H3 Cl N2	c1cnc([nH]....
13	4NRA	Kd = 65 uM	2LW	C13 H13 Cl N2 O	CC(=O)N1CC....
14	5MGE	Kd = 87 uM	7MX	C9 H10 Cl N O3	CCOC(=O)C1....
15	4NR9	-	ALY	C8 H16 N2 O3	CC(=O)NCCC....
16	5E9L	-	6AI	C7 H7 N3	c1cc2cn[nH....
17	5OR9	ic50 = 88 uM	JR5	C18 H21 F N4 O3 S	Cn1c(c2c(n....
18	5E74	Kd = 39 uM	5KH	C25 H19 F3 N2 O3	Cc1ccc(cc1....
19	5E9M	-	BAE	C6 H13 N O	CC(C)(C)C(....
20	6FGU	-	D9Q	C13 H19 N3 O2	CN1C=C(C=C....
21	5DYX	-	ADE	C5 H5 N5	c1[nH]c2c(....
22	5DYU	-	MZ0	C4 H6 N2 O	c1c([nH]cn....
23	5E73	Kd = 23 uM	UO1	C19 H18 N2 O3	Cc1ccc(cc1....

70% Homology Family (23)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1331 families.
1	4XUB	ic50 = 1.07 uM	43D	C19 H18 N8	Cc1cn(nn1)....
2	4XUA	ic50 = 26 uM	43C	C21 H18 N6	Cc1cn(nn1)....
3	5MGF	Kd = 54 uM	7MW	C9 H11 N O3	CCC(=O)c1c....
4	5E9I	-	F60	C8 H7 N O	c1cc(cc2c1....
5	6FGT	-	D9T	C14 H21 N3 O2	CN1C=C(C=C....
6	4NRB	ic50 = 38 uM	2LX	C13 H17 N O3	CNC(=O)c1c....
7	6FH6	-	D8Q	C9 H13 N3 O2	CN1C=C(C=C....
8	5MGG	-	7MU	C7 H7 Cl N2 O	CNC(=O)c1c....
9	5ORB	-	JR6	C16 H19 N3 O2 S	Cn1c(c2c(n....
10	4NRC	ic50 = 241 uM	2LY	C8 H9 N O3 S	CNC(=O)c1c....
11	6FH7	-	EN2	C17 H18 F N3 O3	CN1C=C(C=C....
12	5E9K	-	5KX	C3 H3 Cl N2	c1cnc([nH]....
13	4NRA	Kd = 65 uM	2LW	C13 H13 Cl N2 O	CC(=O)N1CC....
14	5MGE	Kd = 87 uM	7MX	C9 H10 Cl N O3	CCOC(=O)C1....
15	4NR9	-	ALY	C8 H16 N2 O3	CC(=O)NCCC....
16	5E9L	-	6AI	C7 H7 N3	c1cc2cn[nH....
17	5OR9	ic50 = 88 uM	JR5	C18 H21 F N4 O3 S	Cn1c(c2c(n....
18	5E74	Kd = 39 uM	5KH	C25 H19 F3 N2 O3	Cc1ccc(cc1....
19	5E9M	-	BAE	C6 H13 N O	CC(C)(C)C(....
20	6FGU	-	D9Q	C13 H19 N3 O2	CN1C=C(C=C....
21	5DYX	-	ADE	C5 H5 N5	c1[nH]c2c(....
22	5DYU	-	MZ0	C4 H6 N2 O	c1c([nH]cn....
23	5E73	Kd = 23 uM	UO1	C19 H18 N2 O3	Cc1ccc(cc1....

50% Homology Family (389)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1144 families.
1	6JJ3	ic50 = 100 nM	BS6	C23 H25 N5 O4 S	CN1CCN(CC1....
2	6P05	ic50 = 5.9 nM	YF2	C30 H28 N6 O3 S	CCS(=O)(=O....
3	4IOO	-	BAE	C6 H13 N O	CC(C)(C)C(....
4	5I88	Kd = 250 nM	69G	C20 H21 N3 O2	C/C=C/CN1C....
5	5DX4	Kd = 0.137 uM	E0C	C20 H17 Br N2 O4 S	CCN1c2ccc(....
6	6JJB	ic50 = 49.5 nM	BT0	C19 H16 N2 O4 S	CN1c2ccc(c....
7	3JVK	Kd = 118 uM	GLY GLY ALY ALA PRO ARG LYS GLN	n/a	n/a
8	4HBX	ic50 = 1.9 uM	14X	C13 H17 N3 O3 S	CN1Cc2cc(c....
9	4NUE	Ki = 0.15 uM	NUE	C19 H19 N5 O3 S	Cc1cc(c(c(....
10	6SB8	Kd = 0.07 uM	L45	C21 H27 N3 O5 S	CCN(CC)S(=....
11	5Y94	Kd = 164 nM	8QC	C16 H16 Br N3 O4 S	Cc1c2cc(c(....
12	6DMJ	-	53W	C27 H32 N4 O3	Cc1c(c(on1....
13	4HXR	ic50 = 4.1 uM	1A4	C13 H10 N2 O3 S3	c1cc(cc(c1....
14	6DML	-	9BM	C25 H26 N4 O4	Cc1c(c(on1....
15	5TI5	ic50 = 41 uM	7CN	C16 H13 Br N2 O3 S	c1cc(cc(c1....
16	6VUJ	ic50 = 35.2 uM	RLY	C23 H30 N2 O5 S	CCN(CC)S(=....
17	6X7B	ic50 = 27 nM	ZVP	C26 H24 N4 O5 S	c1cc(cnc1)....
18	4O7C	ic50 = 10 uM	2RK	C22 H23 N5 O	C1CNCCC1C2....
19	4IOQ	-	BAQ	C4 H7 N O	C1CC(=O)NC....
20	4HXK	-	1AJ	C11 H11 N3 O S	c1csc2c1CN....
21	6S6K	Kd = 0.18 uM	KXK	C24 H31 N3 O5 S	Cc1c2c(c([....
22	2YEL	ic50 = 15.5 nM	WSH	C25 H21 N5 O2	Cc1nnc2n1-....
23	6RWJ	Kd = 6.41 uM	KLK	C12 H16 N2 O2	Cc1c2c(c([....
24	6SA2	Kd = 0.08 uM	L25	C22 H27 N3 O6 S	Cc1c2c(c([....
25	6XV7	-	O2Q	C14 H13 F2 N5	Cc1nnc2n1n....
26	4BW4	ic50 = 631 nM	9B6	C22 H16 F3 N5 O4	Cc1c(c(on1....
27	4O72	ic50 = 1 uM	2R4	C25 H19 N O3 S	c1ccc2c(c1....
28	5F63	Kd = 12 nM	5W2	C28 H35 Cl F N7 O3 S	Cc1cnc(nc1....
29	5HLS	ic50 = 0.039 uM	62G	C20 H16 Cl N3 O2	Cc1c-2c(on....
30	4HBW	ic50 = 4.8 uM	14Z	C11 H15 N3 O3 S	CCNS(=O)(=....
31	4OGI	Kd = 37 nM	R78	C28 H39 N7 O3	CC[C@@H]1C....
32	6WW8	-	YR0	C31 H32 N6 O4 S	CN(C)C(=O)....
33	5TI7	ic50 = 11 uM	7CQ	C17 H19 Br N2 O4 S	COc1ccc(cc....
34	4J0S	ic50 = 0.382 uM	1H3	C18 H17 N O3	Cc1c(c(on1....
35	6Q3Y	Kd = 54 nM	HG5	C30 H38 N6 O2	CC[C@@H]1C....
36	6SAJ	Kd = 0.05 uM	L2Z	C23 H27 N3 O6 S	Cc1c2c(c([....
37	4F3I	Kd = 36.1 nM	0S6	C20 H19 Cl N4 O2 S	Cc1c(sc-2c....
38	4QZS	Kd = 89 nM	JQ1	C23 H26 Cl N4 O2 S	Cc1c(sc-2c....
39	6AFR	ic50 = 70 nM	9E3	C13 H10 F N3 O	c1cc2c(ccc....
40	4WIV	Kd = 550 nM	3P2	C21 H23 N5 O	Cc1c(c(on1....
41	6VUF	ic50 = 147 uM	RLV	C14 H20 N2 O3 S	CCCNS(=O)(....
42	3P5O	Kd = 55.2 nM	EAM	C22 H22 Cl N5 O2	CCNC(=O)C[....
43	4UIX	ic50 = 0.00000001 M	TVU	C22 H24 N2 O6 S2	CN1C=C(c2c....
44	4HXS	ic50 = 4.1 uM	1A3	C16 H14 N2 O3 S2	c1ccc(cc1)....
45	5HM0	ic50 = 0.44 uM	62V	C18 H13 Cl N2 O	Cc1c-2c(on....
46	5DLX	Kd = 2 uM	5D2	C25 H33 Cl N8 O	Cc1nnc2n1n....
47	5TI2	ic50 = 24 uM	7CJ	C16 H15 F N2 O3 S	c1cc(cc(c1....
48	5D3H	Kd = 7.9 uM	57G	C20 H27 N3 O6 S	CCc1c(c([n....
49	6E4A	Kd = 44 nM	HRY	C29 H34 Cl N7 O	CN1C=C(C=C....
50	4MEP	ic50 = 4.7 uM	24Y	C19 H14 Cl N5 O	Cc1cccnc1n....
51	4YH4	ic50 = 26 uM	Y81	C20 H15 N3 O2	c1ccc(cc1)....
52	5D3N	Kd = 9.2 uM	L40	C18 H23 N3 O4 S	CCc1c(c([n....
53	6C7R	Kd = 2.2 nM	EO4	C24 H25 N7 O2	Cc1c(c(on1....
54	6WGX	ic50 = 0.15 uM	U0D	C31 H36 F3 N7	Cc1cc(cc(c....
55	6HOV	-	FER	C10 H10 O4	COc1cc(ccc....
56	5D26	Kd = 0.81 uM	L28	C19 H26 N4 O5 S	CCc1c(c([n....
57	3MUK	Kd = 380 uM	ALA THR PRK ALA ALA ARG LYS SER	n/a	n/a
58	4J3I	Kd = 8.93 uM	1K0	C20 H22 N2 O5	Cc1cc(cc(c....
59	6X7D	ic50 = 388 nM	UT4	C19 H18 N2 O4 S	c1cc2c(cc1....
60	4QB3	Kd = 3.4 uM	30M	C17 H21 N3 O2	CC(=O)NCCC....
61	4LZS	Kd = 16 uM	L46	C11 H16 N2 O2	CCc1c(c([n....
62	6HDQ	ic50 = 5.01 uM	FZE	C30 H37 F2 N5 O	Cc1cc(cnc1....
63	4O71	ic50 = 18 uM	CPB	C21 H20 Cl N O5	C[N@]1CC[C....
64	4CFL	Kd = 1.33 uM	8DQ	C19 H18 N2 O2	c1ccc(cc1)....
65	4C67	-	L5S	C15 H12 N4 S	Cc1nnc2n1-....
66	6V1K	-	5SW	C20 H23 N3 O3	CN1C=C(c2c....
67	4QR3	ic50 = 1.4 uM	BNJ	C14 H16 N2 O3 S2	c1cc(cc(c1....
68	4ZC9	-	4MW	C38 H37 Cl N8 O7 S	Cc1c(sc-2c....
69	4MEO	-	25V	C18 H16 N2 O2	Cc1cc(c2cc....
70	6UVM	Kd = 510 uM	QJA	C11 H13 N O S2	CC(=O)N1CC....
71	4LRG	ic50 = 0.026 uM	1XB	C20 H18 Cl N3 O2 S	Cc1c(sc-2c....
72	6CKS	ic50 = 0.015 uM	F5Y	C23 H23 N3 O4 S	CCS(=O)(=O....
73	6DJC	Ki = 232.8 nM	CF6	C48 H54 Cl2 N10 O2 S2	Cc1c(sc-2c....
74	5TI3	ic50 = 44 uM	7CG	C16 H14 Br2 N2 O3 S	c1cc(cc(c1....
75	4HXP	-	1A5	C10 H10 N2 O3	c1cc(ccc1C....
76	6PSB	ic50 = 24 uM	Y18	C17 H19 N3 O2	CN1C[C@H](....
77	6CD4	ic50 = 5.14 uM	EX1	C33 H42 N8 O3	CC(C)N1c2c....
78	4O7E	ic50 = 5.7 uM	2RN	C20 H15 N3 O	c1ccc(cc1)....
79	4O74	ic50 = 0.025 uM	R78	C28 H39 N7 O3	CC[C@@H]1C....
80	4BW2	ic50 = 6.31 uM	UTH	C24 H24 N4 O3	Cc1c(c(on1....
81	5CS8	ic50 = 2.29 uM	EB8	C21 H18 N2 O5 S	CCN1c2ccc(....
82	3U5J	Kd = 2.46 uM	08H	C17 H13 Cl N4	Cc1nnc2n1-....
83	5EIS	Kd = 1.8 uM	5OU	C14 H13 Cl N4 O2	CCn1cnc2c1....
84	6FO5	Kd = 0.19 uM	DZH	C25 H26 N6 O5 S	CCn1cnc2c1....
85	6V1L	Kd = 418 nM	5U6	C20 H23 N3 O3	CN1C=C(c2c....
86	3U5L	Kd = 0.64 uM	08K	C17 H14 Cl N5	Cc1nnc2n1-....
87	4QR4	ic50 = 0.25 uM	BNK	C14 H15 Cl N2 O3 S2	c1cc(c(cc1....
88	4O7A	ic50 = 19 uM	2RF	C16 H10 Cl2 N2 O3	c1cc(cc(c1....
89	5F61	Kd = 35 nM	5W0	C26 H34 F N7 O2 S	Cc1cnc(nc1....
90	4HXN	-	1A7	C9 H6 F N O S	c1ccc(c(c1....
91	6DL2	Ki = 33 nM	GUJ	C17 H17 N3 O S	Cc1c(c2c(s....
92	5Z5U	-	96U	C12 H10 N4 O2	c1cn(cn1)c....
93	5TI4	ic50 = 26 uM	7CM	C16 H14 Cl F N2 O3 S	c1cc(cc(c1....
94	5Y8C	ic50 = 0.16 uM	8P9	C16 H15 Cl N2 O5 S	Cc1c2cc(c(....
95	4NUD	Ki < 0.0845 uM	NUD	C18 H17 N5 O3 S	Cc1cc(c(cc....
96	4O7B	ic50 = 20 uM	2RJ	C26 H26 F N5 O	Cc1cccc(c1....
97	5CPE	ic50 = 0.45 uM	EB2	C20 H24 N2 O3 S	CCN1c2ccc(....
98	5MLI	ic50 = 130 uM	82I	C6 H8 Cl N3 O	CNC1=C(C(=....
99	5DW2	Kd = 1.44 uM	5GD	C24 H29 N3 O4	Cc1cc(cc(c....
100	5D3P	Kd = 7.4 uM	57E	C19 H21 N3 O4 S	CCc1c(c([n....
101	4PCE	ic50 = 7 uM	2N0	C17 H19 N O	CCc1cc2c(n....
102	5D25	Kd = 0.46 uM	56M	C19 H25 N3 O5 S	CCN(CC)S(=....
103	5DLZ	Kd = 1.8 uM	5D1	C28 H35 N3 O3	Cc1cccc(c1....
104	5Y8W	ic50 = 0.23 uM	8PU	C15 H13 Br N2 O5 S	Cc1c2cc(c(....
105	4J0R	ic50 = 0.386 uM	1H2	C18 H17 N O3	Cc1c(c(on1....
106	6MH7	ic50 = 1.3 uM	JQY	C26 H27 F N6	Cc1ccc(cc1....
107	5F60	Kd = 43 nM	5VZ	C26 H34 Cl N7 O2 S	Cc1cnc(nc1....
108	5Z5V	ic50 = 287 nM	96X	C15 H14 N4 O2	CC(=O)Nc1c....
109	4HXO	-	1A6	C11 H10 N4 O S	Cc1cc(on1)....
110	5CRM	ic50 = 1.09 uM	EB5	C15 H16 N2 O3 S	CCNS(=O)(=....
111	6YQN	ic50 = 0.72 uM	P8T	C32 H28 Cl N7 O2 S	Cc1c(sc-2c....
112	5CQT	Kd = 0.124 uM	EB3	C19 H22 N2 O3 S	CCN1c2ccc(....
113	5KHM	Ki = 5.012 nM	XNH	C25 H33 N7 O3	C[C@@H]1C(....
114	6XV3	-	O2B	C28 H33 N9 O	Cc1nnc2n1c....
115	4Z1S	ic50 = 0.79 uM	559	C23 H21 Cl N6	Cc1nnc2n1-....
116	4MR3	-	1K0	C20 H22 N2 O5	Cc1cc(cc(c....
117	5MKZ	ic50 = 20 uM	RNK	C11 H12 Cl N3 O S	Cc1ccsc1CN....
118	5ULA	Ki = 77 nM	5MJ	C20 H19 Cl N2 O3	CC1=C(CCC1....
119	4O78	ic50 = 4.6 uM	SAV	C21 H22 N6 O3	Cc1c2ccc(c....
120	6XVC	-	O32	C22 H21 N5 O2	Cc1nnc2n1c....
121	4OGJ	Kd = 164 nM	2TA	C27 H36 N6 O3 S	Cc1cnc(nc1....
122	5A85	ic50 = 5.01 uM	78J	C21 H30 N4 O2	CC1=Cc2ccn....
123	5TI6	ic50 = 21 uM	7CO	C16 H14 F2 N2 O3 S	c1cc(cc(c1....
124	6MAU	-	JBS	C30 H32 N6 O3	Cc1c(c(on1....
125	6S4B	Kd = 0.14 uM	KUH	C22 H29 N3 O5 S	CCN(CC)S(=....
126	6Q3Z	Kd = 44 nM	HG8	C29 H38 N6 O2 S	CC[C@@H]1C....
127	6V0U	Kd = 392 nM	BMF	C17 H20 N6 O4 S	CCOC(=O)Nc....
128	6VUC	ic50 = 144 uM	RLS	C16 H22 N2 O3 S	CN1C[C@H](....
129	4MR4	-	1K0	C20 H22 N2 O5	Cc1cc(cc(c....
130	4QR5	ic50 = 0.06 uM	BNM	C18 H21 N3 O4 S2	c1c(cc(cc1....
131	4MEQ	-	25O	C12 H11 N5	Cc1cc(n2c(....
132	4O77	ic50 = 2.5 uM	2RE	C20 H14 F N3 O	c1cc(ccc1c....
133	6XUZ	-	O1W	C24 H33 N9 O2	Cc1nnc2n1c....
134	5EI4	ic50 = 26.4 uM	5NV	C17 H17 Cl N8 O2 S	CCn1c(nc2c....
135	5CY9	Kd = 0.218 uM	E0A	C17 H20 N2 O3 S	CCCCS(=O)(....
136	6MH1	ic50 = 1.7 uM	JQP	C26 H27 F N6	Cc1cc(cc(c....
137	5CRZ	ic50 = 0.45 uM	EB7	C19 H14 Cl F N2 O3 S	CCN1c2ccc(....
138	5Y93	ic50 = 2.27 uM	8Q9	C23 H27 Br N4 O7 S	Cc1c2cc(c(....
139	5AD2	Kd = 63 nM	ETU	C24 H30 Cl N7 O2	C[C@@H]1C(....
140	4E96	ic50 = 0.22 uM	0NS	C16 H17 N3 O4 S	CN1Cc2cc(c....
141	5D0C	Kd = 2.34 uM	E0B	C21 H25 N3 O4 S	CCN1c2ccc(....
142	4O7F	ic50 = 13 uM	2RQ	C25 H24 F N5 O2	COc1ccccc1....
143	5CP5	Kd = 1.234 uM	EB0	C19 H15 F N2 O3 S	CCN1c2ccc(....
144	4CFK	Kd = 1.83 uM	LY2	C19 H17 N O3	c1ccc(cc1)....
145	5D3R	-	57C	C23 H31 N3 O4 S	CCCc1c(c([....
146	4NUC	Ki = 0.91 uM	435	C19 H18 N4 O3 S	Cc1cc(cc(c....
147	4HXL	ic50 = 2.2 uM	1A9	C22 H25 N3 O4 S3	c1cc(sc1)S....
148	6CIY	ic50 = 0.41 uM	F3J	C34 H42 N8 O3	CN1CCN(CC1....
149	5D3L	Kd = 0.88 uM	57F	C21 H29 N3 O5 S	CCc1c(c([n....
150	4A9L	-	P9L	C14 H19 N3 O4 S	CN1Cc2cc(c....
151	4XYA	Kd = 1370 nM	43S	C13 H8 Br N5 O	c1coc2c1cc....
152	4C66	-	H4C	C17 H16 Cl N4 S	CCc1cc2c(s....
153	6UWU	ic50 ~ 70 nM	QKP	C27 H34 N2 O6	Cc1cc(cc(c....
154	4O76	ic50 = 0.13 uM	1M3	C26 H35 N7 O2 S	Cc1cnc(nc1....
155	5LJ2	ic50 = 10 uM	6XW	C25 H32 N6 O4 S	CC1=Cc2c(c....
156	6CD5	-	R4L	C35 H44 N8 O3	CN1CCN(CC1....
157	5I80	Kd = 62 nM	67B	C17 H17 N3 O2	CN1C=C(c2c....
158	4O75	ic50 = 21 uM	2RC	C23 H26 F N6 O9 P	CC1(C(=O)N....
159	5NNF	-	PHE LEU PRO HIS ALY TYR ASP VAL LYS LEU	n/a	n/a
160	3ZYU	ic50 = 0.1 uM	1GH	C23 H21 N5 O3	Cc1c(c(on1....
161	4Z1Q	ic50 = 0.015 uM	558	C23 H21 Cl N6	Cc1nnc2n1-....
162	6SA3	Kd = 0.42 uM	L2N	C23 H30 N4 O5 S	Cc1c2c(c([....
163	5IGK	Kd = 41.8 nM	BMF	C17 H20 N6 O4 S	CCOC(=O)Nc....
164	5Y1Y	ic50 = 0.98 uM	HNQ	C9 H6 N2 O3	c1cc2c(ccc....
165	5Z5T	-	96R	C12 H10 N4 O	c1cc2c(cc(....
166	6V1U	-	QMG	C20 H19 N3 O2	Cc1ccc(cc1....
167	5KDH	Ki = 0.37 uM	6RX	C18 H17 N3 O4	CCN1C2=C([....
168	4PS5	ic50 = 0.29 uM	2TA	C27 H36 N6 O3 S	Cc1cnc(nc1....
169	5D24	Kd = 5.8 uM	L26	C18 H21 N3 O4	CCc1c(c([n....
170	5ACY	Kd = 6.4 nM	9S3	C30 H35 N3 O	C[C@H]1C[C....
171	5HCL	ic50 = 6 mM	5Y9	C4 H9 N O	CC(=O)N(C)....
172	5COI	ic50 = 2.58 uM	55K	C20 H22 N2 O5 S	CCN1c2ccc(....
173	6UWX	Kd = 290 uM	QKD	C12 H17 N O2 S2	CCOC(=O)N1....
174	5Y8Y	Kd = 82 nM	8PX	C16 H15 Br N2 O5 S	Cc1c2cc(c(....
175	4HXM	ic50 = 0.79 uM	1A8	C17 H17 N3 O4 S3	CCCC(=O)Nc....
176	5F62	Kd = 6.8 nM	5W1	C26 H33 Cl F N7 O2 S	Cc1cnc(nc1....
177	5D3S	Kd = 1.3 uM	579	C20 H24 F N3 O5 S	CCc1c(c([n....
178	6YQP	ic50 = 1.35 uM	P8N	C29 H27 Cl N6 O3 S	Cc1c(sc-2c....
179	6AJX	Kd = 9.1 uM	HCC	C15 H12 O4	c1cc(ccc1C....
180	4LYW	Kd = 237 nM	21Q	C20 H27 N3 O5 S	CCc1c(c([n....
181	4HBV	ic50 = 23 uM	15E	C9 H9 Br N2 O	CN1Cc2cc(c....
182	5LUU	Kd = 8.63 uM	77X	C15 H17 N3 O	CCC(=O)N1C....
183	4YH3	ic50 = 26 uM	Y80	C24 H20 N2 O3	COc1ccc(cc....
184	6AJV	Kd = 9.1 uM	HCC	C15 H12 O4	c1cc(ccc1C....
185	6CZV	ic50 = 0.23 uM	FOY	C17 H16 N2 O2	Cc1c(c(on1....
186	4X2I	ic50 = 0.35 uM	3X0	C18 H17 Cl N4	Cc1nnc2n1-....
187	6CJ1	ic50 = 6.31 uM	FND	C34 H44 N8 O3	CC[C@H](C)....
188	5F5Z	Kd = 86 nM	5VY	C26 H35 N7 O2 S	Cc1cnc(nc1....
189	6UVJ	Kd = 20 uM	QJ1	C11 H15 N O2 S2	COC(=O)N1C....
190	6FNX	ic50 = 12.6 uM	DYZ	C14 H14 N4 O2	CCn1cnc2c1....
191	4HBY	ic50 = 4.4 uM	13F	C15 H15 N3 O3 S	CN1Cc2cc(c....
192	5D3J	Kd = 5.7 uM	L33	C20 H27 N3 O4 S	CCc1c(c([n....
193	6AJY	Kd = 5.3 uM	A0R	C16 H14 O4	COc1ccccc1....
194	3MUL	-	GLY GLY BTK ALA PRO ARG LYS GLN	n/a	n/a
195	4LR6	ic50 = 33 uM	1XA	C10 H10 N2 O	Cc1c(c(on1....
196	5AD3	Kd = 7.9 nM	K6K	C26 H30 N10 O3	CN(CCOc1cc....
197	4PCI	ic50 = 7.5 uM	2NJ	C16 H16 N2 O	CN1c2ccccc....
198	5D3T	Kd = 12 uM	56Y	C19 H23 N3 O3	CCc1c(c([n....
199	6SAH	Kd = 0.26 uM	L2W	C23 H29 N3 O5 S	Cc1c2c(c([....
200	5LJ1	ic50 > 0.0000316 M	6XX	C28 H35 F2 N5 O3	Cc1cc(cnc1....
201	4O70	ic50 = 19 uM	1QK	C21 H29 N6 O2	CCc1cnn2c1....
202	4XY9	Kd = 4651 nM	43U	C12 H10 Br N5 O	COc1ccc(cc....
203	3MXF	-	JQ1	C23 H26 Cl N4 O2 S	Cc1c(sc-2c....
204	5CFW	Kd = 0.78 uM	53W	C27 H32 N4 O3	Cc1c(c(on1....
205	5A5S	ic50 = 1.3 uM	NP8	C20 H23 N5 O2	CC1=Cc2c(c....
206	4UIY	ic50 = 0.00000001 M	5V2	C21 H20 F3 N3 O3 S2	CN1C=C(c2c....
207	6PS9	ic50 = 79 uM	Y17	C18 H21 N3 O2	CN1C[C@@H]....
208	4LZR	Kd = 20 uM	LOC	C22 H25 N O6	CC(=O)N[C@....
209	6PRT	ic50 = 2120 uM	OWA	C8 H13 N O3	CN1C[C@H](....
210	4BW1	ic50 = 1.26 uM	S5B	C25 H25 N3 O3	Cc1c(c(on1....
211	6YQO	ic50 = 4.53 uM	P8Q	C33 H36 Cl N7 O4 S	Cc1c(sc-2c....
212	4MEN	-	25K	C15 H17 N5	Cc1ccc(cc1....
213	6CIS	ic50 = 0.3 uM	X26	C37 H48 N8 O3	CC(C)Oc1cc....
214	6CKR	ic50 = 0.05 uM	F5V	C21 H20 N4 O3 S	Cn1cc(cn1)....
215	4UIZ	ic50 = 0.00001995 M	N1D	C22 H25 N3 O6 S2	CN1C=C(c2c....
216	5KJ0	ic50 = 130 nM	6TB	C29 H41 N7 O3	CC[C@@H]1C....
217	4KV1	-	THR PHE ALY SER ILE MET LYS	n/a	n/a
218	5EGU	Kd = 1.4 uM	5NQ	C23 H32 N8 O2 S	CCCCc1c(nc....
219	5Y8Z	ic50 = 0.62 uM	8Q3	C16 H15 Br N2 O4 S	Cc1cc2c(cc....
220	6VUB	ic50 = 629 uM	RLG	C11 H13 N O	CN1C[C@H](....
221	4BW3	ic50 = 501 nM	9BM	C25 H26 N4 O4	Cc1c(c(on1....
222	3U5K	-	08J	C18 H13 Cl F N3	Cc1ncc2n1-....
223	6FGH	-	6RZ	C10 H16 N2 O2 S	Cc1c(cccn1....
224	6FG6	-	D8Q	C9 H13 N3 O2	CN1C=C(C=C....
225	6FGG	Kd = 17 uM	D9B	C18 H20 N4 O4	CN1C=C(C=C....
226	5MGJ	Kd = 51 uM	7MX	C9 H10 Cl N O3	CCOC(=O)C1....
227	6FGV	-	D9T	C14 H21 N3 O2	CN1C=C(C=C....
228	6FGL	ic50 = 24 uM	UO1	C19 H18 N2 O3	Cc1ccc(cc1....
229	5OR8	-	JR4	C17 H18 F N3 O3 S	Cc1cc2c(cc....
230	5FE0	-	ALY	C8 H16 N2 O3	CC(=O)NCCC....
231	5LVR	Kd = 250 uM	78Y	C10 H10 N4 O	Cc1c(nn(n1....
232	5FDZ	Kd = 6.8 uM	5X0	C21 H24 N2 O5	CNC(=O)c1c....
233	5FE1	-	12Q	C10 H9 N O	CN1c2ccccc....
234	5FE6	Kd = 6910 uM	5WZ	C9 H16 N2 O	C1CC1C(=O)....
235	5FE2	-	5WV	C9 H9 N O	CN1Cc2cccc....
236	5FE7	Kd = 488 uM	5WU	C10 H14 N2 O2	Cc1c2c(n(n....
237	5FE8	-	5WT	C13 H14 N2 O2	CC1=CC(=O)....
238	5FE4	-	5WY	C9 H9 N O3	c1cc(c2c(c....
239	5FE9	Kd = 20.98 uM	5WS	C12 H14 N2 O3 S	CC1=CC(=O)....
240	5FE5	-	2QC	C9 H9 N3 S	c1cc(ccc1C....
241	5MKX	ic50 = 20 uM	82I	C6 H8 Cl N3 O	CNC1=C(C(=....
242	5LVQ	Kd = 73 uM	2LX	C13 H17 N O3	CNC(=O)c1c....
243	5FE3	-	5WX	C8 H8 N2 O2	COc1cccc2c....
244	6C7Q	-	EO1	C25 H23 N7 O2	Cc1c(c(on1....
245	2YEM	ic50 = 15.5 nM	WSH	C25 H21 N5 O2	Cc1nnc2n1-....
246	5JWM	ic50 = 3.09 nM	6ON	C54 H66 Cl2 N10 O9 S2	Cc1c(sc-2c....
247	5UOO	Ki = 1.4 nM	8FV	C26 H21 N5 O2	Cc1c(c(on1....
248	3QZS	Kd = 99 uM	LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL	n/a	n/a
249	3QZT	-	LYS GLY GLY ALA ALY ARG HIS ARG LYS VAL	n/a	n/a
250	5U6V	ic50 = 21 nM	7WY	C22 H19 Cl N6	Cc1c-2n(nn....
251	5O3A	-	31P	C23 H23 Cl N4 O3	CC[C@H]([C....
252	5DFD	-	59E	C23 H21 N5 O3	Cc1nnc2n1-....
253	5XHK	-	LDR	C13 H9 N O	c1ccc2c(c1....
254	5O3D	-	9J5	C23 H23 Cl N4 O3	CC[C@H]([C....
255	6YTM	Kd = 65 nM	PMW	C22 H25 Cl N4 O2 S	CC[C@H]([C....
256	6VIY	Ki = 1.1 nM	QYY	C27 H29 N3 O5 S	CCNC(=O)c1....
257	5IG6	Kd = 213.7 uM	6B3	C27 H18 N2 O4	c1ccc2c(c1....
258	5O3G	-	9J8	C25 H26 Cl N5 O2	CCNC(=O)[C....
259	4J1P	Kd = 0.206 uM	1K0	C20 H22 N2 O5	Cc1cc(cc(c....
260	5O3I	-	9HN	C27 H29 Cl N4 O3	Cc1nnc2n1-....
261	5UEW	-	87D	C20 H20 N2 O5 S	CN1C=C(C(=....
262	5O3B	-	9HZ	C24 H23 Cl N4 O3	Cc1nnc2n1-....
263	5O3E	-	9HW	C23 H24 Cl N5 O2	CCNC(=O)[C....
264	3ONI	-	JQ1	C23 H26 Cl N4 O2 S	Cc1c(sc-2c....
265	6K04	Ki = 3.1 nM	CQF	C22 H21 Cl N6	Cc1nnc2n1-....
266	5O39	-	31O	C22 H21 Cl N4 O3	Cc1nnc2n1-....
267	5O3H	-	9HQ	C23 H24 Cl N5 O2	CCNC(=O)[C....
268	5O3C	-	9J2	C22 H21 Cl N4 O3	Cc1nnc2n1-....
269	4MR6	-	1K0	C20 H22 N2 O5	Cc1cc(cc(c....
270	6MOA	Kd = 2.5 nM	JW4	C25 H22 N4 O	Cc1ccc2c(c....
271	5DW1	ic50 = 0.08 uM	5GD	C24 H29 N3 O4	Cc1cc(cc(c....
272	5DFC	-	EAM	C22 H22 Cl N5 O2	CCNC(=O)C[....
273	4MR5	-	1K0	C20 H22 N2 O5	Cc1cc(cc(c....
274	5O3F	-	9HT	C24 H26 Cl N5 O2	CC[C@H]([C....
275	2WP1	-	LYS ALA PRO ARG ALY GLN LEU ALA THR LYS	n/a	n/a
276	4FLP	Kd = 190.1 nM	JQ1	C23 H26 Cl N4 O2 S	Cc1c(sc-2c....
277	4KCX	Kd = 37 uM	1QK	C21 H29 N6 O2	CCc1cnn2c1....
278	4A9I	-	P9I	C15 H13 N2 O	C/C(=C/1C=....
279	4UYH	ic50 = 0.00000001 M	9S3	C30 H35 N3 O	C[C@H]1C[C....
280	4A9H	-	TVP	C12 H15 N O	C[C@H]1CCc....
281	4A9F	-	MB3	C5 H9 N O	CN1CCCC1=O
282	4ALG	ic50 = 0.5 uM	1GH	C23 H21 N5 O3	Cc1c(c(on1....
283	2YEK	ic50 = 32.5 nM	EAM	C22 H22 Cl N5 O2	CCNC(=O)C[....
284	2YDW	Kd = 46 nM	WSH	C25 H21 N5 O2	Cc1nnc2n1-....
285	4A9J	-	TYL	C8 H9 N O2	CC(=O)Nc1c....
286	4A9M	ic50 = 0.5 uM	P9M	C17 H22 N2 O3 S	Cc1ccc(cc1....
287	4ALH	-	A9P	C11 H11 N O	Cc1c(c(on1....
288	4A9E	-	3PF	C9 H10 N2 O	CN1Cc2cccc....
289	4A9O	-	A9O	C12 H13 N O	CCc1c(c(no....
290	4AKN	ic50 = 0.79 uM	S5B	C25 H25 N3 O3	Cc1c(c(on1....
291	4A9N	ic50 = 1.5 uM	A9N	C15 H16 N2 O3 S	Cc1ccc(cc1....
292	4KV4	-	THR PHE ALY SER ILE MET LYS	n/a	n/a
293	5UEZ	Ki = 970 nM	89G	C18 H16 N2 O3	CN1C(=O)C=....
294	6VIX	Ki = 1.3 nM	QYV	C24 H21 F2 N3 O5 S	CCNC(=O)c1....
295	5UF0	Ki = 160 uM	89J	C12 H13 N3 O	CNC1=CC(=O....
296	5UEU	-	0S6	C20 H19 Cl N4 O2 S	Cc1c(sc-2c....
297	4Z93	Kd = 44.6 nM	4LD	C24 H23 N5 O2	Cc1c(c(n[n....
298	5UEY	Ki = 5.1 nM	88M	C22 H24 F2 N2 O5 S	CCOC1=CC(=....
299	5UEX	Ki = 1.5 nM	89D	C24 H26 F2 N2 O5 S	CCS(Nc1ccc....
300	5I8B	ic50 = 0.11 uM	69F	C23 H22 N2 O2	C[C@@H]1CC....
301	5I8G	Kd = 0.03 uM	69E	C22 H22 N6 O	C[C@@H]1CC....
302	5N18	Kd = 2.1 uM	8HZ	C21 H19 N3 O	Cc1ccc(cc1....
303	5MLJ	Ki = 1.4 nM	9ST	C17 H21 Br N4 O	CN1C[C@H](....
304	6J3P	Kd = 105 nM	B8O	C21 H25 N5 O3	CN1C[C@H](....
305	6AXQ	ic50 = 99000 nM	C2Y	C10 H9 N O2	COC(=O)c1c....
306	5DBM	Kd = 0.35 uM	58N	C17 H22 N4 O	C[C@@H]1CC....
307	5LPM	Kd = 2.77 uM	71Y	C20 H23 Cl N2 O3	CCc1c(c([n....
308	5NRW	-	96N	C21 H22 N2 O2	CCc1c(c([n....
309	3P1D	-	MB3	C5 H9 N O	CN1CCCC1=O
310	5LPJ	Kd = 10.1 uM	XDM	C17 H19 Cl N2 O2	CCc1c(c([n....
311	6FQO	ic50 = 0.14 uM	E2T	C26 H24 N2 O6	CCOc1ccc(c....
312	4TQN	Kd = 0.77 uM	UL4	C18 H17 N O5	CCOc1ccc(c....
313	6FRF	ic50 = 0.04 uM	E3T	C26 H24 N2 O5	CCOc1ccc(c....
314	5TB6	Kd = 1.53 uM	77X	C15 H17 N3 O	CCC(=O)N1C....
315	5MQK	-	QPR	C11 H11 N O	CC(=O)c1cn....
316	5MQG	-	F31	C9 H11 N O2	CC(=O)c1cc....
317	5I83	ic50 = 4.1 uM	68Y	C18 H20 N2 O2	C[C@@H]1CC....
318	4A9K	-	TYL	C8 H9 N O2	CC(=O)Nc1c....
319	5I86	ic50 = 0.53 uM	69A	C18 H19 N3 O2	C[C@@H]1CC....
320	6FR0	ic50 = 0.146 uM	E3H	C27 H26 N2 O6	CCN1C(=O)C....
321	5NU5	Kd = 0.47 uM	99E	C21 H22 N2 O4	CCc1c(c([n....
322	5LPK	Kd = 3.06 uM	XDM	C17 H19 Cl N2 O2	CCc1c(c([n....
323	5MME	Kd = 1.4 uM	8Q6	C20 H21 N O6	CCOc1ccc(c....
324	5I89	ic50 = 0.033 uM	69B	C21 H22 N4 O	C[C@@H]1CC....
325	5NU3	Kd = 0.23 uM	99E	C21 H22 N2 O4	CCc1c(c([n....
326	5OWK	-	7MX	C9 H10 Cl N O3	CCOC(=O)C1....
327	6AY5	ic50 = 69 nM	C3V	C22 H20 F2 N4 O S	Cn1cc(cn1)....
328	5LPL	Kd = 12 uM	71X	C20 H23 Cl N2 O3	CCc1c(c([n....
329	6FQU	ic50 = 2.2 uM	E3B	C21 H23 F2 N O2	CCOc1ccc(c....
330	6DMK	-	2LL	C26 H30 N4 O2	Cc1c(c(on1....
331	5MMG	Kd = 0.97 uM	UT0	C19 H20 N2 O4 S	CCOc1ccc(c....
332	5MPN	Kd = 0.085 uM	YE5	C17 H16 N4 O2	CCOc1ccc(c....
333	5J0D	Kd = 134 nM	6F9	C27 H35 N3 O5	CCC(=O)N1C....
334	6AY3	ic50 = 9.5 nM	C3J	C24 H23 F2 N5 O	CNC(=O)c1c....
335	5MPK	Kd = 0.003 uM	0BC	C21 H18 N6 O3 S	CCOc1ccc(c....
336	5CGP	Kd = 0.12 uM	53W	C27 H32 N4 O3	Cc1c(c(on1....
337	4BJX	ic50 = 22 nM	73B	C25 H23 Cl N2 O3	C[C@H]1C[C....
338	4UYD	ic50 = 79.4 uM	V1T	C10 H11 N3 O2	CN1c2ccc(c....
339	4XUB	ic50 = 1.07 uM	43D	C19 H18 N8	Cc1cn(nn1)....
340	4XUA	ic50 = 26 uM	43C	C21 H18 N6	Cc1cn(nn1)....
341	5MGF	Kd = 54 uM	7MW	C9 H11 N O3	CCC(=O)c1c....
342	5E9I	-	F60	C8 H7 N O	c1cc(cc2c1....
343	6FGT	-	D9T	C14 H21 N3 O2	CN1C=C(C=C....
344	4NRB	ic50 = 38 uM	2LX	C13 H17 N O3	CNC(=O)c1c....
345	6FH6	-	D8Q	C9 H13 N3 O2	CN1C=C(C=C....
346	5MGG	-	7MU	C7 H7 Cl N2 O	CNC(=O)c1c....
347	5ORB	-	JR6	C16 H19 N3 O2 S	Cn1c(c2c(n....
348	4NRC	ic50 = 241 uM	2LY	C8 H9 N O3 S	CNC(=O)c1c....
349	6FH7	-	EN2	C17 H18 F N3 O3	CN1C=C(C=C....
350	5E9K	-	5KX	C3 H3 Cl N2	c1cnc([nH]....
351	4NRA	Kd = 65 uM	2LW	C13 H13 Cl N2 O	CC(=O)N1CC....
352	5MGE	Kd = 87 uM	7MX	C9 H10 Cl N O3	CCOC(=O)C1....
353	4NR9	-	ALY	C8 H16 N2 O3	CC(=O)NCCC....
354	5E9L	-	6AI	C7 H7 N3	c1cc2cn[nH....
355	5OR9	ic50 = 88 uM	JR5	C18 H21 F N4 O3 S	Cn1c(c2c(n....
356	5E74	Kd = 39 uM	5KH	C25 H19 F3 N2 O3	Cc1ccc(cc1....
357	5E9M	-	BAE	C6 H13 N O	CC(C)(C)C(....
358	6FGU	-	D9Q	C13 H19 N3 O2	CN1C=C(C=C....
359	5DYX	-	ADE	C5 H5 N5	c1[nH]c2c(....
360	5DYU	-	MZ0	C4 H6 N2 O	c1c([nH]cn....
361	5E73	Kd = 23 uM	UO1	C19 H18 N2 O3	Cc1ccc(cc1....
362	7K6R	-	9ST	C17 H21 Br N4 O	CN1C[C@H](....
363	7KDW	-	WCV	C20 H21 N5 O	C#CCNc1ncc....
364	7KDZ	-	WCS	C22 H30 N6 O3 S	CN(C)CCCOc....
365	7K6S	-	VYM	C13 H16 N2 O	c1cc2c(cc1....
366	5A7C	ic50 = 0.00018 M	5D4	C10 H20 N2 O2	CC(=O)NCCC....
367	5TPX	Kd = 280 nM	7H7	C21 H24 N6	Cc1nnc2n1n....
368	6MO8	-	JWD	C19 H17 N3 O2	Cc1c(c(on1....
369	6ONY	-	HWV	C28 H30 F N3 O4	CCNC(=O)c1....
370	6JKE	-	BUX	C13 H6 Cl2 N2 O4	c1cc(cc(c1....
371	6MO7	-	JWA	C19 H25 N3 O4 S	Cc1ccc(cc1....
372	6MO9	-	JVY	C19 H21 N3 O3 S	Cc1c(c(on1....
373	3AQA	-	BYH	C17 H16 N4 S2	CN1c2ccccc....
374	6K05	Ki = 95.5 nM	CQF	C22 H21 Cl N6	Cc1nnc2n1-....
375	5WUU	ic50 = 0.81 uM	7UU	C18 H18 N2 O3 S	CN(CCCNC1=....
376	5N17	Kd = 4.8 uM	8FK	C19 H18 N2 O3 S	CN1c2ccc(c....
377	5N16	Kd = 5 uM	8FN	C22 H15 N5 O2 S	c1ccc2c(c1....
378	6VIZ	Ki = 120 nM	QYY	C27 H29 N3 O5 S	CCNC(=O)c1....
379	6VIW	Ki = 21.6 nM	QYV	C24 H21 F2 N3 O5 S	CCNC(=O)c1....
380	5XXH	ic50 = 6.8 uM	E0D	C18 H20 N2 O4	CC(=O)c1cn....
381	5ML0	-	P2L	C11 H17 Cl N4 O	CN1CCC[C@H....
382	5W0L	ic50 = 1.1 nM	9UD	C27 H32 F2 N6 O2	CC(=O)N1CC....
383	5W0F	ic50 = 16 nM	9U7	C25 H30 N6 O2	CC(=O)N1CC....
384	5W0E	ic50 = 0.94 nM	9U4	C27 H33 F2 N7 O2	CNC(=O)N1C....
385	5W0Q	ic50 = 18 uM	9UG	C12 H16 N2 O2	Cc1ccc2c(c....
386	5W0I	ic50 = 1.4 nM	9UA	C26 H30 F2 N6 O2	CC(=O)N1CC....
387	5VOM	ic50 = 0.79 uM	9GY	C24 H23 N3 O4	C[C@H]1CN(....
388	2RI7	-	ALA ARG THR MLY GLN THR ALA ARG LYS	n/a	n/a
389	6J3O	Kd = 2.4 uM	B4L	C13 H19 N5 O	CN1CCC[C@H....

Polypharmacology

Similar Ligands (2D)

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

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	2LY	1	1

Similar Ligands (3D)

Ligand no: 1; Ligand: 2LY; Similar ligands found: 1157

No:	Ligand	Similarity coefficient
1	92P	0.9911
2	C2Y	0.9871
3	4ME	0.9785
4	M4E	0.9752
5	8GK	0.9666
6	1QP	0.9655
7	ICO	0.9642
8	TSS	0.9630
9	5WY	0.9574
10	M6Z	0.9569
11	30G	0.9567
12	M2K	0.9565
13	28N	0.9564
14	5RN	0.9554
15	C9E	0.9550
16	CH9	0.9549
17	Q6T	0.9539
18	F12	0.9533
19	8ZE	0.9504
20	15N	0.9499
21	IAC	0.9498
22	Z5P	0.9497
23	QPR	0.9496
24	DNF	0.9492
25	0JD	0.9489
26	2FY	0.9482
27	KYA	0.9482
28	PDC	0.9478
29	PEY	0.9477
30	AKH	0.9476
31	SRO	0.9476
32	DRG	0.9476
33	6NT	0.9469
34	NID	0.9461
35	ZYR	0.9456
36	VXX	0.9456
37	1F1	0.9443
38	7ZE	0.9441
39	2HU	0.9439
40	KDV	0.9439
41	E1T	0.9437
42	NVU	0.9435
43	E7Z	0.9435
44	HA5	0.9434
45	LNR	0.9434
46	N8Y	0.9432
47	3IT	0.9432
48	8XL	0.9431
49	5RO	0.9426
50	INE	0.9426
51	2ZQ	0.9422
52	BPU	0.9420
53	BK9	0.9415
54	M5H	0.9415
55	PH2	0.9412
56	0HN	0.9411
57	5NI	0.9408
58	HQD	0.9401
59	2ZM	0.9401
60	42C	0.9398
61	J9T	0.9394
62	5NE	0.9394
63	4TU	0.9393
64	0HO	0.9387
65	BGC	0.9383
66	GZL	0.9383
67	9UL	0.9382
68	0F9	0.9377
69	APS	0.9373
70	JAW	0.9373
71	0FO	0.9373
72	3NY	0.9368
73	8HC	0.9365
74	4MU	0.9360
75	9FL	0.9360
76	OW7	0.9357
77	15L	0.9356
78	BDP	0.9356
79	N2I	0.9353
80	6BL	0.9352
81	7VS	0.9352
82	5VL	0.9352
83	CWS	0.9351
84	GO2	0.9350
85	ODO	0.9349
86	9R5	0.9349
87	GDE	0.9348
88	9CA	0.9348
89	EA1	0.9347
90	52C	0.9347
91	1A7	0.9345
92	LDR	0.9344
93	7NI	0.9344
94	64C	0.9344
95	KUF	0.9344
96	3A9	0.9342
97	FE DB1	0.9341
98	5OB	0.9341
99	GCU	0.9341
100	TTY	0.9339
101	GTQ	0.9337
102	92K	0.9336
103	0N7	0.9336
104	M0W	0.9334
105	7MX	0.9330
106	9ZE	0.9328
107	TSR	0.9326
108	6ME	0.9324
109	6NI	0.9319
110	4NC	0.9318
111	XAZ	0.9318
112	XHP	0.9317
113	6KT	0.9316
114	1IT	0.9315
115	9AP	0.9312
116	0FK	0.9311
117	B62	0.9310
118	069	0.9307
119	ABI	0.9306
120	PJW	0.9306
121	NNO	0.9305
122	PD2	0.9303
123	X8D	0.9302
124	G3F	0.9302
125	M0Q	0.9301
126	2FQ	0.9301
127	TTL	0.9301
128	54X	0.9300
129	NLA	0.9300
130	23J	0.9300
131	I3A	0.9296
132	UAN	0.9296
133	6VD	0.9296
134	INO	0.9296
135	GJP	0.9295
136	0LH	0.9292
137	SHA	0.9292
138	61M	0.9292
139	7ME	0.9290
140	DQU	0.9288
141	0P6	0.9287
142	DNA	0.9287
143	BZ3	0.9286
144	SKA	0.9286
145	MS9	0.9284
146	4KL	0.9283
147	JB8	0.9283
148	GCB	0.9283
149	URC	0.9283
150	MVN	0.9281
151	UFO	0.9280
152	MR1	0.9280
153	FLV	0.9279
154	39O	0.9279
155	MUA	0.9278
156	DNC	0.9276
157	091	0.9276
158	3PF	0.9274
159	5RG	0.9271
160	AZ9	0.9270
161	8TX	0.9264
162	2HC	0.9263
163	AA	0.9261
164	44W	0.9260
165	M1H	0.9259
166	F31	0.9259
167	FHB	0.9259
168	5QY	0.9259
169	RM1	0.9259
170	ONR	0.9258
171	THA	0.9258
172	OTW	0.9258
173	APZ	0.9256
174	68A	0.9256
175	MQB	0.9255
176	ARP	0.9254
177	DHB	0.9252
178	6CS	0.9252
179	8G0	0.9251
180	226	0.9251
181	B55	0.9251
182	GLC	0.9250
183	8S0	0.9248
184	GV9	0.9247
185	BPY	0.9247
186	BEA	0.9246
187	FA0	0.9246
188	LDP	0.9245
189	7MU	0.9244
190	MRW	0.9242
191	1HN	0.9241
192	D48	0.9241
193	RXA	0.9239
194	4A3	0.9237
195	173	0.9236
196	209	0.9236
197	7W1	0.9235
198	TOF	0.9233
199	VK3	0.9232
200	W81	0.9231
201	0XT	0.9229
202	JR2	0.9229
203	SKM	0.9228
204	2AL	0.9228
205	AY4	0.9227
206	12Q	0.9226
207	HLZ	0.9224
208	DHK	0.9224
209	CHB	0.9221
210	LZM	0.9220
211	JDN	0.9219
212	HNQ	0.9219
213	ANF	0.9219
214	DIN	0.9218
215	6TZ	0.9217
216	FBB	0.9217
217	5CU	0.9216
218	7HQ	0.9215
219	67Y	0.9215
220	MYJ	0.9214
221	54G	0.9213
222	IV2	0.9212
223	JG8	0.9212
224	8CM	0.9211
225	44V	0.9209
226	VNL	0.9208
227	8XQ	0.9208
228	42A	0.9208
229	M5K	0.9207
230	NQ	0.9207
231	NOJ	0.9207
232	8IG	0.9207
233	3Z8	0.9206
234	93K	0.9206
235	BHA	0.9206
236	2K8	0.9206
237	2EC	0.9205
238	KJU	0.9202
239	7FF	0.9201
240	G3E	0.9200
241	3HM	0.9198
242	2BG	0.9197
243	GCS	0.9196
244	3HA	0.9196
245	5XC	0.9196
246	F9Y	0.9196
247	HQT	0.9193
248	4AA	0.9193
249	27B	0.9193
250	5NS	0.9192
251	BCU	0.9191
252	A7W	0.9191
253	ALE	0.9191
254	MQN	0.9189
255	IOS	0.9188
256	4Z4	0.9186
257	K2T	0.9186
258	FOT	0.9185
259	8W9	0.9185
260	AJ2	0.9183
261	MHK	0.9182
262	PRZ	0.9182
263	75K	0.9182
264	0GZ	0.9181
265	8WT	0.9181
266	HLD	0.9180
267	GAL	0.9179
268	XQG	0.9179
269	SE2	0.9178
270	OW4	0.9173
271	4M0	0.9172
272	TYL	0.9172
273	GNM	0.9172
274	3F0	0.9169
275	2HQ	0.9168
276	2SX	0.9167
277	9FE	0.9167
278	FDR	0.9167
279	UNC	0.9167
280	H5B	0.9167
281	X0U	0.9167
282	DBJ	0.9166
283	CFF	0.9166
284	5M0	0.9165
285	ZME	0.9164
286	4JQ	0.9164
287	FUD	0.9163
288	BTY	0.9163
289	J9Q	0.9161
290	1P7	0.9160
291	37T	0.9159
292	DOB	0.9159
293	MEW	0.9157
294	DPZ	0.9157
295	2HO	0.9157
296	363	0.9157
297	BZ2	0.9155
298	EVA	0.9153
299	AZ8	0.9153
300	3MB	0.9153
301	DBH	0.9153
302	O2A	0.9150
303	TT4	0.9150
304	AIN	0.9148
305	AJV	0.9147
306	ZZZ	0.9147
307	261	0.9147
308	SLS	0.9146
309	IJZ	0.9146
310	ESP	0.9146
311	PXL	0.9146
312	PRF	0.9146
313	9TZ	0.9144
314	6DP	0.9144
315	PBA	0.9143
316	LL1	0.9143
317	PYQ	0.9142
318	4HC	0.9142
319	5JL	0.9142
320	0FN	0.9142
321	9MG	0.9141
322	790	0.9140
323	A29	0.9140
324	HQJ	0.9140
325	JTH	0.9140
326	CTL	0.9139
327	4CS	0.9139
328	6RQ	0.9139
329	7WR	0.9138
330	FP1	0.9138
331	2F6	0.9138
332	2D0	0.9138
333	HHR	0.9137
334	BQ2	0.9136
335	N1E	0.9136
336	M1E	0.9135
337	EYY	0.9133
338	AJY	0.9133
339	5NU	0.9133
340	3HB	0.9132
341	ESX	0.9131
342	57O	0.9131
343	AX3	0.9131
344	3DO	0.9130
345	NDH	0.9130
346	P9P	0.9130
347	Q24	0.9129
348	AQO	0.9129
349	JLZ	0.9129
350	ORO	0.9129
351	ESI	0.9129
352	OMD	0.9129
353	86J	0.9128
354	ICB	0.9128
355	TQU	0.9127
356	JXW	0.9126
357	5QX	0.9124
358	DIE	0.9124
359	R20	0.9124
360	5GU	0.9123
361	9KT	0.9123
362	KTJ	0.9123
363	ES5	0.9122
364	KT7	0.9121
365	ZZ8	0.9119
366	CLZ	0.9119
367	NTZ	0.9119
368	H33	0.9119
369	GTR	0.9118
370	67X	0.9118
371	53C	0.9118
372	DEW	0.9116
373	K3Q	0.9116
374	0TU	0.9116
375	94W	0.9115
376	KTW	0.9115
377	QMS	0.9113
378	E1P	0.9113
379	4RU	0.9112
380	1AL	0.9112
381	LT2	0.9111
382	TVP	0.9110
383	8WO	0.9110
384	4FS	0.9110
385	OVM	0.9109
386	6J9	0.9109
387	J5I	0.9107
388	XIY	0.9106
389	GVG	0.9106
390	I6G	0.9105
391	OVV	0.9105
392	NPA	0.9105
393	MT5	0.9104
394	JB5	0.9104
395	I59	0.9103
396	GAB	0.9102
397	03V	0.9101
398	QBM	0.9099
399	1M2	0.9098
400	2LP	0.9096
401	SAL	0.9095
402	TXW	0.9095
403	4HM	0.9095
404	3R6	0.9094
405	3OC	0.9094
406	LZ2	0.9093
407	KJH	0.9093
408	B60	0.9092
409	XFE	0.9092
410	GLO	0.9092
411	BE2	0.9091
412	3NT	0.9091
413	5B1	0.9090
414	OCH	0.9089
415	EWG	0.9089
416	15E	0.9088
417	2O6	0.9087
418	DHY	0.9087
419	FGZ	0.9086
420	SKF	0.9086
421	1WC	0.9086
422	PHE	0.9085
423	7CT	0.9084
424	BZJ	0.9084
425	LI6	0.9083
426	ET2	0.9083
427	EOL	0.9082
428	6FZ	0.9082
429	PE0	0.9081
430	L5V	0.9081
431	5MK	0.9080
432	H42	0.9080
433	DEE	0.9080
434	M3Q	0.9079
435	QSB	0.9078
436	2AQ	0.9078
437	8OZ	0.9077
438	AN3	0.9077
439	5V7	0.9076
440	TIY	0.9076
441	MAJ	0.9076
442	CFA	0.9076
443	CKA	0.9075
444	COU	0.9075
445	R9Y	0.9074
446	8NX	0.9074
447	MSR	0.9073
448	9TW	0.9069
449	4SX	0.9069
450	YSO	0.9067
451	4YO	0.9065
452	QSH	0.9064
453	4I8	0.9064
454	BB4	0.9063
455	CWJ	0.9063
456	3J8	0.9061
457	L22	0.9061
458	20J	0.9057
459	5JQ	0.9055
460	OVP	0.9054
461	JKE	0.9054
462	IOP	0.9053
463	344	0.9051
464	HBO	0.9050
465	X0V	0.9050
466	ASC	0.9049
467	8GC	0.9049
468	A7H	0.9048
469	M5N	0.9047
470	2KA	0.9046
471	3AB	0.9045
472	TRP	0.9045
473	SAF	0.9045
474	HHS	0.9044
475	ES2	0.9044
476	EN1	0.9043
477	LGC	0.9042
478	OXC	0.9042
479	5OF	0.9042
480	2AK	0.9041
481	HJP	0.9041
482	VM1	0.9041
483	7B3	0.9040
484	C2U	0.9040
485	IHB	0.9040
486	ADA	0.9040
487	DIU	0.9040
488	ANC	0.9040
489	5TY	0.9040
490	NFM	0.9039
491	EKZ	0.9037
492	REL	0.9037
493	DX3	0.9036
494	22L	0.9036
495	PNZ	0.9036
496	VYM	0.9035
497	OA3	0.9035
498	9BF	0.9035
499	6QF	0.9035
500	5VJ	0.9034
501	8MO	0.9033
502	45L	0.9030
503	EYK	0.9030
504	PFL	0.9030
505	7I2	0.9029
506	VGD	0.9029
507	EMZ	0.9026
508	G5V	0.9024
509	NAG	0.9023
510	DTR	0.9022
511	3AL	0.9022
512	3M0	0.9021
513	4SV	0.9020
514	VNJ	0.9020
515	SX1	0.9019
516	HHA	0.9019
517	PQ0	0.9019
518	Q02	0.9019
519	LYL	0.9018
520	PIM	0.9018
521	JA8	0.9017
522	D07	0.9015
523	GYE	0.9015
524	5WX	0.9014
525	1VK	0.9014
526	SHG	0.9012
527	JYT	0.9012
528	JBK	0.9012
529	H7Y	0.9012
530	4M4	0.9012
531	EV0	0.9012
532	IPB	0.9011
533	S8D	0.9010
534	JP2	0.9009
535	OGA	0.9008
536	XX2	0.9007
537	1L5	0.9007
538	XQ0	0.9006
539	D1X	0.9006
540	DOR	0.9005
541	5WV	0.9004
542	F4E	0.9003
543	MAQ	0.9002
544	I2E	0.9002
545	60Q	0.9000
546	ALL	0.9000
547	P7Y	0.9000
548	1P8	0.9000
549	36R	0.9000
550	AEH	0.8999
551	MNP	0.8997
552	9KH	0.8997
553	FXH	0.8996
554	SJ5	0.8996
555	ABV	0.8996
556	N91	0.8995
557	S0E	0.8994
558	5WU	0.8993
559	5HN	0.8993
560	EGR	0.8992
561	EUG	0.8991
562	XEN	0.8991
563	CTS	0.8990
564	DRL	0.8990
565	N7I	0.8990
566	JXK	0.8989
567	TIU	0.8989
568	PIY	0.8989
569	HH8	0.8988
570	3R4	0.8988
571	TYE	0.8987
572	ROI	0.8987
573	V55	0.8986
574	V1T	0.8986
575	3TC	0.8986
576	BZE	0.8986
577	L99	0.8985
578	Q71	0.8985
579	495	0.8984
580	ES6	0.8984
581	1KP	0.8983
582	GCW	0.8983
583	G12	0.8983
584	OTD	0.8983
585	4JT	0.8983
586	KP6	0.8983
587	CLW	0.8982
588	WCE	0.8981
589	KMY	0.8981
590	AMR	0.8980
591	GOX	0.8979
592	49O	0.8979
593	6XI	0.8979
594	TGX	0.8978
595	CWM	0.8978
596	GC2	0.8978
597	QX2	0.8977
598	BSX	0.8977
599	4V2	0.8976
600	FBG	0.8974
601	32X	0.8974
602	KKN	0.8973
603	IWT	0.8973
604	JU2	0.8973
605	LKA	0.8973
606	GLT	0.8972
607	DHQ	0.8972
608	1X7	0.8971
609	HC4	0.8971
610	M78	0.8971
611	GJZ	0.8970
612	SNU	0.8970
613	3MG	0.8969
614	55D	0.8969
615	FB1	0.8968
616	N3W	0.8966
617	97T	0.8966
618	4P5	0.8966
619	BHO	0.8966
620	3VX	0.8966
621	FIX	0.8965
622	F69	0.8964
623	34D	0.8964
624	E5X	0.8964
625	AOS	0.8963
626	DHC	0.8961
627	NCD	0.8961
628	3U4	0.8961
629	0BP	0.8961
630	PHU	0.8960
631	AP4	0.8958
632	KBB	0.8956
633	M1A	0.8956
634	ES7	0.8955
635	293	0.8954
636	SYV	0.8953
637	6M4	0.8953
638	I1E	0.8953
639	EYV	0.8952
640	4XV	0.8952
641	ISN	0.8952
642	CIT	0.8952
643	NGW	0.8951
644	NGT	0.8951
645	SOR	0.8951
646	NMJ	0.8951
647	Q88	0.8950
648	0W1	0.8950
649	QBK	0.8949
650	HDH	0.8948
651	MZB	0.8948
652	6R8	0.8946
653	PFB	0.8946
654	HHH	0.8946
655	BA5	0.8945
656	7WV	0.8945
657	JXZ	0.8945
658	TEP	0.8944
659	LEL	0.8944
660	RD4	0.8942
661	67N	0.8942
662	NIZ	0.8942
663	TPA	0.8942
664	FA3	0.8942
665	HIS	0.8940
666	TYR	0.8938
667	B57	0.8937
668	4VS	0.8936
669	CCV	0.8935
670	3BU	0.8935
671	ISZ	0.8935
672	B5D	0.8935
673	6M9	0.8934
674	BRT	0.8934
675	692	0.8934
676	1SQ	0.8933
677	ZON	0.8932
678	CFI	0.8932
679	2H5	0.8931
680	ANN	0.8931
681	PZI	0.8931
682	9DG	0.8928
683	K5W	0.8928
684	KGK	0.8927
685	JXN	0.8926
686	3QV	0.8926
687	NGO	0.8925
688	I3E	0.8924
689	GCO	0.8923
690	A5E	0.8923
691	KBG	0.8922
692	UNJ	0.8922
693	64E	0.8921
694	PHH	0.8920
695	5F5	0.8920
696	24W	0.8920
697	L7T	0.8919
698	X05	0.8918
699	AHR	0.8918
700	SBK	0.8917
701	1NP	0.8916
702	4WL	0.8916
703	R8V	0.8915
704	3DM	0.8915
705	OTR	0.8915
706	TWO	0.8914
707	9PY	0.8914
708	KOJ	0.8913
709	FDB	0.8912
710	B2J	0.8912
711	AH8	0.8911
712	JUG	0.8911
713	KTA	0.8911
714	4AV	0.8910
715	AW5	0.8910
716	XAN	0.8910
717	UFV	0.8909
718	1LQ	0.8909
719	2GQ	0.8909
720	SYA	0.8908
721	PQK	0.8907
722	K97	0.8907
723	RAT	0.8906
724	DPT	0.8906
725	3BZ	0.8905
726	3WA	0.8905
727	4XH	0.8904
728	4FH	0.8904
729	SR1	0.8904
730	HJH	0.8903
731	JFJ	0.8903
732	149	0.8903
733	G1O	0.8902
734	JF1	0.8902
735	PX7	0.8900
736	DBX	0.8900
737	KF5	0.8900
738	DMD	0.8900
739	NBG	0.8900
740	505	0.8899
741	0W8	0.8899
742	CN0	0.8898
743	TAG	0.8897
744	X09	0.8896
745	H4E	0.8896
746	MD6	0.8896
747	CX4	0.8895
748	ES0	0.8895
749	GUN	0.8894
750	YH7	0.8894
751	PHB	0.8894
752	0FR	0.8892
753	EXD	0.8891
754	YPN	0.8890
755	HBD	0.8890
756	MT0	0.8889
757	9UG	0.8889
758	DE5	0.8889
759	2JK	0.8888
760	GF4	0.8888
761	NQH	0.8888
762	6AP	0.8887
763	878	0.8887
764	XYL	0.8885
765	EYA	0.8884
766	BNL	0.8883
767	46P	0.8882
768	PH3	0.8882
769	AC2	0.8880
770	KIB	0.8879
771	IFP	0.8878
772	MO8	0.8877
773	ES1	0.8877
774	NPO	0.8877
775	12T	0.8876
776	PAC	0.8875
777	NCT	0.8875
778	R2P	0.8875
779	ZB1	0.8874
780	KJY	0.8874
781	B56	0.8874
782	KFH	0.8874
783	FHC	0.8874
784	6M1	0.8873
785	DHR	0.8873
786	F05	0.8872
787	SR4	0.8871
788	AZA	0.8871
789	6X9	0.8870
790	4XS	0.8869
791	GNL	0.8868
792	NSG	0.8868
793	MWP	0.8868
794	GRE	0.8868
795	463	0.8868
796	1Z6	0.8868
797	141	0.8867
798	EV3	0.8866
799	GOG	0.8866
800	535	0.8865
801	JKZ	0.8865
802	7W4	0.8865
803	CKU	0.8864
804	3FH	0.8863
805	GZ2	0.8862
806	ICT	0.8861
807	ASO	0.8861
808	M5E	0.8861
809	1XM	0.8861
810	WOO	0.8860
811	8WZ	0.8859
812	826	0.8858
813	B4O	0.8858
814	2D3	0.8857
815	SOE	0.8856
816	MPK	0.8855
817	G6D	0.8855
818	XQK	0.8854
819	36M	0.8853
820	FBV	0.8853
821	K82	0.8853
822	BZX	0.8852
823	FWD	0.8851
824	N5J	0.8851
825	XDK	0.8851
826	HKD	0.8851
827	3RI	0.8850
828	CR1	0.8849
829	2FG	0.8848
830	3ID	0.8846
831	IBM	0.8845
832	HZQ	0.8844
833	JRB	0.8844
834	HA7	0.8843
835	JF2	0.8843
836	A2F	0.8843
837	PAB	0.8843
838	MT8	0.8842
839	HQY	0.8840
840	3HP	0.8840
841	CXH	0.8840
842	28S	0.8839
843	IGA	0.8839
844	AC6	0.8838
845	PBZ	0.8838
846	JBQ	0.8837
847	4VY	0.8837
848	G2F	0.8836
849	FF2	0.8836
850	12B	0.8834
851	BOA	0.8834
852	1Y6	0.8834
853	OHP	0.8834
854	774	0.8833
855	5SG	0.8833
856	ZXD	0.8832
857	LAO	0.8832
858	268	0.8831
859	EVF	0.8831
860	K22	0.8829
861	CSN	0.8829
862	E35	0.8828
863	0RW	0.8828
864	1WD	0.8828
865	H4B	0.8828
866	SVN	0.8826
867	DQA	0.8826
868	X0W	0.8825
869	4MA	0.8824
870	82I	0.8823
871	NDM	0.8823
872	NOY	0.8822
873	IFL	0.8822
874	96R	0.8820
875	F06	0.8818
876	HPT	0.8818
877	DK1	0.8817
878	JPZ	0.8817
879	FYU	0.8817
880	258	0.8816
881	SVD	0.8815
882	PO6	0.8815
883	3SK	0.8815
884	4YS	0.8813
885	1GN	0.8813
886	25W	0.8813
887	SXS	0.8812
888	39U	0.8812
889	5WN	0.8811
890	X11	0.8810
891	A13	0.8810
892	RB5	0.8809
893	1LM	0.8809
894	XDE	0.8809
895	7B4	0.8809
896	HDL	0.8808
897	ADZ	0.8808
898	S24	0.8807
899	O72	0.8807
900	MB1	0.8806
901	LPK	0.8806
902	F2W	0.8806
903	F9P	0.8806
904	5IQ	0.8805
905	537	0.8805
906	KG1	0.8805
907	AZG	0.8804
908	FBM	0.8803
909	AEF	0.8803
910	GLA	0.8802
911	SYR	0.8800
912	UEG	0.8799
913	MIG	0.8798
914	3Y7	0.8797
915	MBG	0.8797
916	LTT	0.8797
917	5Q0	0.8795
918	GXY	0.8794
919	QWN	0.8793
920	CWD	0.8790
921	6F0	0.8789
922	RVE	0.8788
923	F0J	0.8788
924	QIC	0.8788
925	QWW	0.8787
926	XX3	0.8786
927	GCV	0.8786
928	DX4	0.8785
929	0CU	0.8784
930	9LI	0.8784
931	FBW	0.8783
932	1U6	0.8782
933	329	0.8781
934	E1K	0.8779
935	QXW	0.8777
936	Q7A	0.8775
937	TBS	0.8772
938	N0Z	0.8771
939	4ZA	0.8771
940	2A9	0.8770
941	HQ9	0.8769
942	5XB	0.8766
943	FEH	0.8766
944	4AN	0.8765
945	290	0.8764
946	CFP	0.8763
947	5GT	0.8763
948	GT0	0.8761
949	FK8	0.8760
950	MYI	0.8759
951	3GQ	0.8759
952	SWA	0.8759
953	8NB	0.8759
954	BDI	0.8758
955	PXM	0.8758
956	PQZ	0.8757
957	KLK	0.8756
958	8VN	0.8755
959	AMQ	0.8753
960	3IL	0.8750
961	FBU	0.8750
962	5JT	0.8748
963	680	0.8748
964	II6	0.8746
965	M1Z	0.8745
966	PBN	0.8744
967	NTM	0.8742
968	7ZL	0.8741
969	ZVO	0.8741
970	MXD	0.8741
971	EPR	0.8740
972	SYE	0.8740
973	PHT	0.8740
974	23A	0.8738
975	K17	0.8738
976	7MW	0.8737
977	G4D	0.8737
978	II4	0.8736
979	L21	0.8736
980	CBF	0.8735
981	D3G	0.8735
982	GJS	0.8733
983	BWD	0.8731
984	5TZ	0.8731
985	B53	0.8731
986	9EW	0.8731
987	MS0	0.8730
988	HMH	0.8730
989	AHN	0.8729
990	X6X	0.8729
991	E7R	0.8728
992	8G6	0.8727
993	BIO	0.8727
994	GOE	0.8726
995	GIV	0.8725
996	ATX	0.8724
997	BCP	0.8724
998	4NM	0.8724
999	SQ7	0.8723
1000	BMA	0.8722
1001	ETV	0.8721
1002	FBT	0.8721
1003	HH5	0.8719
1004	K6X	0.8718
1005	4A5	0.8718
1006	FRU	0.8716
1007	KIA	0.8715
1008	MMS	0.8714
1009	582	0.8714
1010	06B	0.8712
1011	IQ5	0.8712
1012	GO8	0.8712
1013	8U3	0.8711
1014	J01	0.8710
1015	14O	0.8710
1016	ZIP	0.8709
1017	39A	0.8709
1018	LT3	0.8708
1019	6GU	0.8707
1020	DDU	0.8706
1021	Q77	0.8705
1022	XCZ	0.8704
1023	CK2	0.8703
1024	K32	0.8702
1025	CC5	0.8701
1026	JTA	0.8701
1027	M3H	0.8699
1028	2J9	0.8698
1029	MOK	0.8696
1030	HBI	0.8693
1031	H2B	0.8693
1032	FTV	0.8693
1033	5H1	0.8693
1034	3YP	0.8692
1035	1DJ	0.8691
1036	MNN	0.8691
1037	F60	0.8691
1038	GSY	0.8690
1039	XXG	0.8690
1040	QQQ	0.8689
1041	B41	0.8688
1042	MAN	0.8688
1043	SRT	0.8687
1044	HFA	0.8687
1045	IWD	0.8685
1046	F1A	0.8684
1047	5PX	0.8683
1048	YQA	0.8683
1049	U7E	0.8683
1050	FDK	0.8682
1051	THM	0.8680
1052	QUS	0.8680
1053	7MK	0.8679
1054	CXP	0.8678
1055	4XF	0.8678
1056	MUR	0.8677
1057	4A1	0.8676
1058	SDD	0.8675
1059	W8G	0.8675
1060	795	0.8675
1061	5MI	0.8673
1062	DI6	0.8672
1063	6HO	0.8671
1064	GRX	0.8671
1065	VOH	0.8670
1066	HNK	0.8669
1067	JBH	0.8665
1068	FLC	0.8665
1069	SG2	0.8665
1070	P72	0.8664
1071	3TJ	0.8661
1072	M45	0.8661
1073	1P3	0.8659
1074	P9E	0.8656
1075	EJZ	0.8654
1076	QAT	0.8653
1077	KJ5	0.8652
1078	51R	0.8652
1079	HNL	0.8652
1080	9RW	0.8651
1081	TH7	0.8650
1082	QAS	0.8649
1083	AS3	0.8649
1084	9X5	0.8647
1085	ZHA	0.8644
1086	HX3	0.8643
1087	GXL	0.8641
1088	3N4	0.8640
1089	S2P	0.8639
1090	GZ8	0.8639
1091	P3K	0.8639
1092	XUL	0.8638
1093	GM7	0.8637
1094	GNV	0.8636
1095	L46	0.8636
1096	GIM	0.8635
1097	4OG	0.8635
1098	LCN	0.8634
1099	78U	0.8631
1100	R6T	0.8630
1101	YIO	0.8629
1102	HTP	0.8627
1103	KDO	0.8627
1104	2ZV	0.8627
1105	SQ4	0.8627
1106	DUR	0.8625
1107	DA4	0.8618
1108	2K4	0.8618
1109	1X8	0.8615
1110	XM5	0.8615
1111	IFM	0.8612
1112	MXN	0.8611
1113	RUY	0.8609
1114	R8S	0.8609
1115	HIO	0.8605
1116	A3M	0.8604
1117	SMN	0.8602
1118	PA1	0.8601
1119	14W	0.8599
1120	MJ2	0.8598
1121	2CG	0.8597
1122	DII	0.8597
1123	QNA	0.8597
1124	2PG	0.8597
1125	DCZ	0.8596
1126	I4D	0.8595
1127	SW7	0.8594
1128	YO5	0.8593
1129	X8Z	0.8592
1130	AVR	0.8591
1131	DGJ	0.8588
1132	BHS	0.8586
1133	96U	0.8586
1134	JY4	0.8580
1135	2CK	0.8578
1136	QDK	0.8574
1137	ADE	0.8573
1138	327	0.8572
1139	KDG	0.8570
1140	6Q3	0.8562
1141	64F	0.8560
1142	512	0.8558
1143	JXT	0.8558
1144	FWB	0.8556
1145	7OD	0.8556
1146	3QM	0.8550
1147	6MP	0.8550
1148	4V6	0.8549
1149	IPT	0.8543
1150	ONZ	0.8543
1151	LLT	0.8541
1152	AMH	0.8541
1153	7Q1	0.8532
1154	3R9	0.8531
1155	F81	0.8528
1156	DQN	0.8518
1157	7ZC	0.8504

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

Pocket No.: 1; Query (leader) PDB : 4XUB; Ligand: 43D; Similar sites found with APoc: 3

This union binding pocket(no: 1) in the query (biounit: 4xub.bio1) has 16 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	6HDN	FZB	27.3504
2	5IGL	BMF	40.1709
3	4YC9	4C1	44.4444

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