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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6VLV	1.72 Å	EC: 3.4.21.27	FACTOR XIA IN COMPLEX WITH COMPOUND 11	HOMO SAPIENS	HYDROLASE SERINE PROTEASE COAGULATION FACTOR HYDROLASE-HYINHIBITOR COMPLEX BLOOD CLOTTING
Ref.:	AUGMENTING HIT IDENTIFICATION BY VIRTUAL SCREENING TECHNIQUES IN SMALL MOLECULE DRUG DISCOVERY. J.CHEM.INF.MODEL. V. 60 4144 2020

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
FLC	A:702; A:701;	Valid; Valid;	none; none;	submit data		189.1	C6 H5 O7	C(C(=...
R3A	A:703;	Valid;	none;	Ki = 5.33 nM		468.958	C19 H25 Cl N6 O4 S	[H]/N...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
5WB6	2.35 Å	EC: 3.4.21.27	FACTOR XIA IN COMPLEX WITH THE INHIBITOR METHYL [(11S)-11-({ CHLORO-2-(1H-TETRAZOL-1-YL)PHENYL]PROP-2-ENOYL}AMINO)-6-FLU1 ,3,4,10,11,13-HEXAHYDRO-2H-5,9:15,12-DI(AZENO)-1,13- BE NZODIAZACYCLOHEPTADECIN-18-YL]CARBAMATE	HOMO SAPIENS	HYDROLASE SERINE PROTEASE BLOOD COAGULATION FACTOR PROTEIINHIBITOR COMPLEX HYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.:	MACROCYCLIC FACTOR XIA INHIBITORS. BIOORG. MED. CHEM. LETT. V. 27 4056 2017

Members (45)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	5TKU	Ki = 0.16 nM	7DK	C28 H28 Cl N9 O4	COC(=O)Nc1....
2	4NA8	Ki = 1.5 nM	1T6	C31 H28 N4 O3	[H]/N=C(/c....
3	5WB6	Ki = 0.02 nM	9ZM	C31 H26 Cl F N10 O4	COC(=O)Nc1....
4	5Q0H	Ki = 12 nM	9F1	C27 H26 Cl F2 N5 O4	Cc1cc(c(c(....
5	5TKT	Ki = 3.2 nM	7DS	C28 H26 Cl N9 O4	COC(=O)Nc1....
6	4CRG	-	J4X	C22 H18 N6 O	[H]/N=C(c1....
7	5EXL	Ki = 3.7 nM	5SS	C28 H31 N5 O2	c1ccc(cc1)....
8	6TS5	ic50 = 0.003 uM	NW2	C27 H29 N O5	CC(C)c1cc(....
9	6VLU	Ki = 149.1 nM	R2Y	C27 H37 F2 N5 O2	CC(C)C[C@H....
10	5E2O	Ki = 2 nM	5JM	C26 H21 Cl N6 O4	c1ccc(cc1)....
11	4CRB	Ki = 0.027 uM	7P0	C28 H24 Cl N7 O4	c1ccc(cc1)....
12	6TS6	ic50 = 0.004 uM	NW5	C27 H26 N2 O4	CC(C)(C#N)....
13	5TKS	Ki = 68 nM	7DL	C29 H30 Cl2 N8 O3	COC(=O)Nc1....
14	5QTY	Ki = 2.5 nM	QLJ	C32 H33 Cl N8 O5	CCOC(=O)[C....
15	5Q0E	Ki = 0.69 nM	9FD	C29 H30 Cl N9 O4	C[C@H]1CCC....
16	4CRE	-	MVN	C10 H8 Cl N O	CC1=CC(=O)....
17	4CRA	Ki = 0.06 uM	XJ8	C29 H25 N5 O4	c1ccc(cc1)....
18	1ZHR	-	BEN	C7 H8 N2	[H]/N=C(c1....
19	5E2P	Ki = 1.6 nM	7P0	C28 H24 Cl N7 O4	c1ccc(cc1)....
20	3BG8	-	BEN	C7 H8 N2	[H]/N=C(c1....
21	4X6P	Ki = 5 nM	3YU	C28 H23 Cl N10 O	c1ccc(cc1)....
22	5Q0D	Ki = 1 nM	9EY	C27 H26 Cl N9 O4	COC(=O)Nc1....
23	4X6O	Ki = 1.9 nM	3Y4	C29 H26 Cl2 N8 O3	COC(=O)Nc1....
24	5EXN	Ki = 23 nM	5SU	C31 H26 Cl N7 O3	COC(=O)Nc1....
25	4CR9	Ki = 80 uM	OTW	C10 H11 N3	Cc1cc(nc2c....
26	6TS4	ic50 = 2.8 uM	J7B	C22 H20 N2 O3	c1ccc(c(c1....
27	6USY	Ki = 0.0004 uM	QGS	C28 H28 N2 O4	CC(C)c1cc(....
28	4CRC	Ki = 0.0019 uM	OTM	C26 H21 Cl N10 O2	c1ccc(cc1)....
29	5QCL	Ki = 11 nM	BUY	C27 H21 Cl N6 O4	c1ccc2c(c1....
30	1ZHM	-	BEN	C7 H8 N2	[H]/N=C(c1....
31	5EXM	Ki = 6.3 nM	5ST	C29 H34 N4 O3	COC(=O)Nc1....
32	4TY7	Ki = 0.3 nM	39F	C26 H30 Cl N7 O	c1ccc(cc1)....
33	5QTT	Ki = 3.4 nM	QEY	C30 H29 Cl F N7 O4	C[C@@H]1CC....
34	6W50	Ki = 0.3 nM	SWP	C31 H29 Cl F2 N4 O4	C[C@@H]1CC....
35	5QQP	Ki = 5.3 nM	NR7	C29 H30 Cl N5 O4	COC(=O)Nc1....
36	6C0S	Ki = 89 nM	EEJ	C31 H31 Cl2 N9 O4	CC(=O)N1CC....
37	4CRF	Ki = 0.0005 uM	R9B	C29 H23 Cl N4 O5	c1ccc(cc1)....
38	5QCN	Ki = 6 nM	BVM	C36 H34 Cl N7 O7	CCOC(=O)[C....
39	6VLV	Ki = 5.33 nM	R3A	C19 H25 Cl N6 O4 S	[H]/N=C(/N....
40	5QTV	Ki = 1.1 nM	QLS	C28 H27 Cl F3 N9 O3	COC(=O)Nc1....
41	4X6M	Ki = 5.8 nM	3Y3	C27 H26 Cl2 N8 O	c1ccc(cc1)....
42	5QTW	Ki = 0.46 nM	QLM	C29 H30 Cl N9 O5	COC(=O)[C@....
43	4CR5	Ki = 70 uM	0TU	C9 H6 Cl N O	c1cc2c(cc1....
44	4CRD	Ki = 0.08 uM	OTJ	C22 H22 Cl2 N8 O3	COC(=O)Nc1....
45	5QCM	Ki = 110 nM	BVJ	C28 H23 Cl F N7 O4	COC(=O)Nc1....

70% Homology Family (50)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	5TKU	Ki = 0.16 nM	7DK	C28 H28 Cl N9 O4	COC(=O)Nc1....
2	4NA8	Ki = 1.5 nM	1T6	C31 H28 N4 O3	[H]/N=C(/c....
3	5WB6	Ki = 0.02 nM	9ZM	C31 H26 Cl F N10 O4	COC(=O)Nc1....
4	5Q0H	Ki = 12 nM	9F1	C27 H26 Cl F2 N5 O4	Cc1cc(c(c(....
5	5TKT	Ki = 3.2 nM	7DS	C28 H26 Cl N9 O4	COC(=O)Nc1....
6	4CRG	-	J4X	C22 H18 N6 O	[H]/N=C(c1....
7	5EXL	Ki = 3.7 nM	5SS	C28 H31 N5 O2	c1ccc(cc1)....
8	6TS5	ic50 = 0.003 uM	NW2	C27 H29 N O5	CC(C)c1cc(....
9	6VLU	Ki = 149.1 nM	R2Y	C27 H37 F2 N5 O2	CC(C)C[C@H....
10	5E2O	Ki = 2 nM	5JM	C26 H21 Cl N6 O4	c1ccc(cc1)....
11	4CRB	Ki = 0.027 uM	7P0	C28 H24 Cl N7 O4	c1ccc(cc1)....
12	6TS6	ic50 = 0.004 uM	NW5	C27 H26 N2 O4	CC(C)(C#N)....
13	5TKS	Ki = 68 nM	7DL	C29 H30 Cl2 N8 O3	COC(=O)Nc1....
14	5QTY	Ki = 2.5 nM	QLJ	C32 H33 Cl N8 O5	CCOC(=O)[C....
15	5Q0E	Ki = 0.69 nM	9FD	C29 H30 Cl N9 O4	C[C@H]1CCC....
16	4CRE	-	MVN	C10 H8 Cl N O	CC1=CC(=O)....
17	4CRA	Ki = 0.06 uM	XJ8	C29 H25 N5 O4	c1ccc(cc1)....
18	1ZHR	-	BEN	C7 H8 N2	[H]/N=C(c1....
19	5E2P	Ki = 1.6 nM	7P0	C28 H24 Cl N7 O4	c1ccc(cc1)....
20	3BG8	-	BEN	C7 H8 N2	[H]/N=C(c1....
21	4X6P	Ki = 5 nM	3YU	C28 H23 Cl N10 O	c1ccc(cc1)....
22	5Q0D	Ki = 1 nM	9EY	C27 H26 Cl N9 O4	COC(=O)Nc1....
23	4X6O	Ki = 1.9 nM	3Y4	C29 H26 Cl2 N8 O3	COC(=O)Nc1....
24	5EXN	Ki = 23 nM	5SU	C31 H26 Cl N7 O3	COC(=O)Nc1....
25	4CR9	Ki = 80 uM	OTW	C10 H11 N3	Cc1cc(nc2c....
26	6TS4	ic50 = 2.8 uM	J7B	C22 H20 N2 O3	c1ccc(c(c1....
27	6USY	Ki = 0.0004 uM	QGS	C28 H28 N2 O4	CC(C)c1cc(....
28	4CRC	Ki = 0.0019 uM	OTM	C26 H21 Cl N10 O2	c1ccc(cc1)....
29	5QCL	Ki = 11 nM	BUY	C27 H21 Cl N6 O4	c1ccc2c(c1....
30	1ZHM	-	BEN	C7 H8 N2	[H]/N=C(c1....
31	5EXM	Ki = 6.3 nM	5ST	C29 H34 N4 O3	COC(=O)Nc1....
32	4TY7	Ki = 0.3 nM	39F	C26 H30 Cl N7 O	c1ccc(cc1)....
33	5QTT	Ki = 3.4 nM	QEY	C30 H29 Cl F N7 O4	C[C@@H]1CC....
34	6W50	Ki = 0.3 nM	SWP	C31 H29 Cl F2 N4 O4	C[C@@H]1CC....
35	5QQP	Ki = 5.3 nM	NR7	C29 H30 Cl N5 O4	COC(=O)Nc1....
36	6C0S	Ki = 89 nM	EEJ	C31 H31 Cl2 N9 O4	CC(=O)N1CC....
37	4CRF	Ki = 0.0005 uM	R9B	C29 H23 Cl N4 O5	c1ccc(cc1)....
38	5QCN	Ki = 6 nM	BVM	C36 H34 Cl N7 O7	CCOC(=O)[C....
39	6VLV	Ki = 5.33 nM	R3A	C19 H25 Cl N6 O4 S	[H]/N=C(/N....
40	5QTV	Ki = 1.1 nM	QLS	C28 H27 Cl F3 N9 O3	COC(=O)Nc1....
41	4X6M	Ki = 5.8 nM	3Y3	C27 H26 Cl2 N8 O	c1ccc(cc1)....
42	5QTW	Ki = 0.46 nM	QLM	C29 H30 Cl N9 O5	COC(=O)[C@....
43	4CR5	Ki = 70 uM	0TU	C9 H6 Cl N O	c1cc2c(cc1....
44	4CRD	Ki = 0.08 uM	OTJ	C22 H22 Cl2 N8 O3	COC(=O)Nc1....
45	5QCM	Ki = 110 nM	BVJ	C28 H23 Cl F N7 O4	COC(=O)Nc1....
46	2ANW	-	BAM	C7 H9 N2	c1ccc(cc1)....
47	2ANY	-	BAM	C7 H9 N2	c1ccc(cc1)....
48	5TJX	-	GBT	C29 H33 N7 O3	Cc1c2c(cc(....
49	6O1S	-	7SD	C23 H25 N7 O	Cc1cc(nc(c....
50	6T7P	Ki = 0.97 uM	MU8	C26 H24 Cl N3 O3	c1ccc(cc1)....

50% Homology Family (468)

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

Polypharmacology

Similar Ligands (2D)

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

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

Ligand no: 2; Ligand: R3A; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	R3A	1	1

Similar Ligands (3D)

Ligand no: 1; Ligand: FLC; Similar ligands found: 945

No:	Ligand	Similarity coefficient
1	CIT	1.0000
2	AKG	1.0000
3	PAF	1.0000
4	2IT	1.0000
5	NTC	0.9905
6	7A3	0.9740
7	7A2	0.9685
8	TRC	0.9655
9	TRA	0.9628
10	GLY ASP	0.9594
11	1AL	0.9566
12	NCD	0.9546
13	ICT	0.9527
14	NFQ	0.9417
15	ATH	0.9415
16	P4B	0.9381
17	HCA	0.9379
18	DMO	0.9370
19	GLY LEU	0.9344
20	PDC	0.9334
21	NTM	0.9327
22	CCB	0.9325
23	MAH	0.9316
24	AN0	0.9310
25	GBN	0.9307
26	OTD	0.9303
27	3S4	0.9296
28	EKN	0.9290
29	QM1	0.9270
30	7QD	0.9258
31	XQB	0.9257
32	CAX	0.9256
33	ORO	0.9250
34	ENL	0.9245
35	QIC	0.9244
36	AOR	0.9239
37	2CG	0.9239
38	0FA	0.9237
39	4TE	0.9233
40	5XB	0.9229
41	V6F	0.9203
42	PHT	0.9198
43	NLG	0.9192
44	DOR	0.9192
45	IPM	0.9191
46	5UK	0.9190
47	NQM	0.9189
48	8WQ	0.9188
49	OIA	0.9185
50	87L	0.9178
51	HCT	0.9176
52	MIC	0.9174
53	NLQ	0.9174
54	GJS	0.9170
55	0GY	0.9165
56	GM7	0.9163
57	KLW	0.9163
58	5XR	0.9158
59	R1P	0.9157
60	LSA	0.9155
61	VPR	0.9151
62	ALA LEU	0.9150
63	JKZ	0.9150
64	AVI	0.9149
65	OMD	0.9147
66	KTA	0.9144
67	AVO	0.9143
68	40F	0.9140
69	4WK	0.9136
70	HMQ	0.9135
71	6XI	0.9130
72	KAI	0.9125
73	GLY PRO	0.9121
74	FOT	0.9120
75	8VN	0.9119
76	256	0.9118
77	PCV	0.9113
78	2D3	0.9112
79	OXC	0.9112
80	TEN	0.9110
81	QAS	0.9110
82	OAF	0.9108
83	HJ7	0.9108
84	2AL	0.9106
85	YQA	0.9103
86	SIF	0.9103
87	NIG	0.9098
88	GZ8	0.9098
89	J01	0.9095
90	0F9	0.9094
91	CDT	0.9091
92	AIN	0.9085
93	PD2	0.9084
94	D1X	0.9083
95	5HY	0.9082
96	8G0	0.9081
97	791	0.9080
98	7NI	0.9078
99	DII	0.9074
100	PFL	0.9069
101	HNQ	0.9068
102	G88	0.9067
103	QAT	0.9063
104	MEV	0.9059
105	42C	0.9058
106	F69	0.9054
107	FA3	0.9053
108	XQK	0.9052
109	ONR	0.9051
110	TSA	0.9050
111	DQA	0.9046
112	GNL	0.9043
113	NSG	0.9043
114	4ME	0.9042
115	DNC	0.9040
116	FRU	0.9039
117	GTR	0.9037
118	IJZ	0.9037
119	OVM	0.9036
120	AVJ	0.9036
121	HJP	0.9036
122	K2P	0.9033
123	GTC	0.9032
124	6NT	0.9032
125	CDV	0.9031
126	AW5	0.9031
127	GV9	0.9025
128	5FN	0.9024
129	BRR	0.9023
130	AKH	0.9023
131	L14	0.9022
132	AH8	0.9021
133	LT8	0.9020
134	3NY	0.9019
135	QPR	0.9019
136	DNF	0.9017
137	AQK	0.9015
138	AME	0.9014
139	OW4	0.9014
140	SKM	0.9013
141	HQ9	0.9013
142	PRZ	0.9010
143	O2A	0.9010
144	0JD	0.9010
145	6R8	0.9010
146	2BX	0.9007
147	SXS	0.9007
148	ALA PRO	0.9005
149	5CU	0.9004
150	3AL	0.9004
151	SF9	0.9002
152	Q6T	0.9001
153	UNC	0.9000
154	4RW	0.8993
155	FX1	0.8992
156	KJU	0.8989
157	S2T	0.8988
158	7ZE	0.8987
159	R9S	0.8986
160	34D	0.8984
161	SER THR	0.8981
162	3PO	0.8981
163	X1E	0.8980
164	SOE	0.8979
165	F12	0.8976
166	2ZM	0.8975
167	DHK	0.8974
168	ADA	0.8973
169	JAW	0.8972
170	0HO	0.8972
171	5NI	0.8969
172	GDE	0.8967
173	1F1	0.8967
174	0LH	0.8966
175	7WR	0.8966
176	0HN	0.8966
177	41K	0.8966
178	N8P	0.8963
179	9PY	0.8963
180	GAL	0.8962
181	EPR	0.8962
182	329	0.8962
183	C5A	0.8960
184	8GL	0.8957
185	Z5P	0.8955
186	GXL	0.8954
187	9FL	0.8953
188	2FT	0.8949
189	SF6	0.8949
190	FBG	0.8949
191	IPZ	0.8947
192	KJM	0.8946
193	DOB	0.8946
194	DIG	0.8945
195	DG2	0.8943
196	8XQ	0.8942
197	FA0	0.8941
198	W81	0.8940
199	GLO	0.8939
200	1PL	0.8939
201	ODO	0.8939
202	6NI	0.8939
203	2FG	0.8936
204	HZQ	0.8936
205	1CO	0.8935
206	293	0.8934
207	VNL	0.8934
208	3MF	0.8932
209	FA6	0.8931
210	PRE	0.8928
211	495	0.8928
212	KDF	0.8928
213	PQK	0.8927
214	9KH	0.8927
215	9SE	0.8927
216	SSC	0.8926
217	BHA	0.8925
218	PNZ	0.8924
219	URC	0.8923
220	RAT	0.8921
221	HLZ	0.8921
222	5WY	0.8920
223	OEM	0.8920
224	091	0.8919
225	M75	0.8918
226	OW7	0.8918
227	5ZZ	0.8917
228	2ZQ	0.8917
229	12B	0.8916
230	BDF	0.8916
231	LFR	0.8916
232	2HU	0.8913
233	NGO	0.8913
234	T2D	0.8913
235	5OB	0.8913
236	MT0	0.8912
237	3IT	0.8911
238	HA5	0.8911
239	X09	0.8911
240	GIV	0.8910
241	IPB	0.8910
242	HHT	0.8908
243	REL	0.8906
244	ICO	0.8906
245	3A9	0.8905
246	RSM	0.8905
247	PSV	0.8903
248	NGT	0.8903
249	HLD	0.8903
250	6CS	0.8902
251	60Q	0.8900
252	ZZ8	0.8900
253	SR4	0.8899
254	4M0	0.8899
255	JDN	0.8899
256	0GZ	0.8898
257	CBF	0.8896
258	IAC	0.8895
259	5GU	0.8895
260	JB8	0.8894
261	GLG	0.8893
262	ASC	0.8893
263	HDL	0.8892
264	TSR	0.8892
265	3MB	0.8891
266	ABI	0.8890
267	N7P	0.8890
268	PEZ	0.8889
269	40H	0.8888
270	2MN	0.8887
271	BZ3	0.8887
272	B09	0.8885
273	ANN	0.8885
274	RNS	0.8884
275	TSS	0.8884
276	1U1	0.8883
277	M44	0.8882
278	C2U	0.8882
279	8WO	0.8881
280	B0D	0.8879
281	6LW	0.8877
282	RNT	0.8876
283	J9Q	0.8874
284	KDG	0.8873
285	SC2	0.8873
286	6JN	0.8873
287	GLA	0.8873
288	DBX	0.8873
289	APG	0.8872
290	4P0	0.8869
291	4A5	0.8869
292	LAO	0.8868
293	2ED	0.8867
294	97T	0.8867
295	9DG	0.8867
296	8GK	0.8866
297	TVP	0.8865
298	XSP	0.8865
299	2PG	0.8865
300	APZ	0.8863
301	KYA	0.8862
302	GCU	0.8862
303	0OC	0.8862
304	FF3	0.8861
305	CN0	0.8860
306	15N	0.8860
307	IT9	0.8859
308	X8Z	0.8857
309	OHP	0.8855
310	SER PRO	0.8855
311	TEP	0.8854
312	S76	0.8854
313	MTL	0.8854
314	GCO	0.8853
315	149	0.8852
316	FHN	0.8851
317	3OC	0.8850
318	YIO	0.8849
319	5RN	0.8849
320	XYH	0.8849
321	TIU	0.8849
322	AMH	0.8849
323	EMZ	0.8848
324	RXA	0.8848
325	BDP	0.8848
326	E5X	0.8847
327	Q7A	0.8847
328	FUD	0.8845
329	AI2	0.8844
330	2TQ	0.8844
331	290	0.8844
332	IFG	0.8843
333	PSJ	0.8843
334	1GN	0.8842
335	A13	0.8842
336	141	0.8841
337	FIX	0.8840
338	MQB	0.8840
339	7D2	0.8839
340	NGW	0.8839
341	210	0.8839
342	2H5	0.8838
343	3DM	0.8838
344	3HG	0.8837
345	5XC	0.8837
346	RD4	0.8836
347	DA4	0.8836
348	KMH	0.8835
349	EV0	0.8835
350	2F6	0.8835
351	ET2	0.8833
352	PPK	0.8833
353	CWJ	0.8832
354	NVU	0.8832
355	OVV	0.8829
356	NAG	0.8829
357	0CG	0.8829
358	M0Q	0.8828
359	12T	0.8826
360	GAF	0.8826
361	QSH	0.8826
362	MLE	0.8825
363	CFP	0.8824
364	TAG	0.8824
365	GLY MET	0.8823
366	AHB	0.8823
367	PX7	0.8823
368	SDD	0.8822
369	TAR	0.8822
370	ES0	0.8822
371	15L	0.8821
372	GCB	0.8820
373	DX4	0.8820
374	4WL	0.8820
375	ISD	0.8819
376	Q71	0.8819
377	BZ2	0.8818
378	AZA	0.8818
379	8VE	0.8818
380	X1R	0.8818
381	MBG	0.8817
382	39U	0.8816
383	D07	0.8816
384	AZG	0.8816
385	F31	0.8816
386	SOL	0.8816
387	MS9	0.8816
388	2FY	0.8815
389	X6X	0.8814
390	4AA	0.8814
391	MUC	0.8814
392	7UC	0.8814
393	M2K	0.8813
394	MB1	0.8813
395	1U5	0.8813
396	MMA	0.8813
397	LPK	0.8812
398	NZ2	0.8812
399	XAN	0.8811
400	BMA	0.8810
401	9CA	0.8809
402	NGA	0.8809
403	ZOL	0.8809
404	EUG	0.8808
405	152	0.8808
406	Q88	0.8808
407	FBU	0.8808
408	G4D	0.8808
409	SLC	0.8808
410	DZX	0.8808
411	ES2	0.8807
412	RPQ	0.8807
413	NQ	0.8807
414	GUN	0.8806
415	SYA	0.8806
416	BK9	0.8806
417	212	0.8806
418	AHD	0.8806
419	GLR	0.8805
420	GTL	0.8805
421	FA1	0.8805
422	GTQ	0.8804
423	H6B	0.8804
424	TPO	0.8803
425	NTZ	0.8803
426	5DL	0.8803
427	XX3	0.8803
428	IUP	0.8803
429	RM1	0.8803
430	NLA	0.8802
431	GAB	0.8801
432	TLA	0.8801
433	GCV	0.8801
434	QBK	0.8800
435	S24	0.8800
436	EU7	0.8800
437	RIM	0.8800
438	8TX	0.8799
439	2O6	0.8799
440	DCO	0.8799
441	5LD	0.8798
442	463	0.8798
443	AFS	0.8797
444	6KT	0.8797
445	INE	0.8796
446	FPK	0.8794
447	KDO	0.8794
448	VK3	0.8793
449	7VS	0.8792
450	94W	0.8791
451	OVP	0.8791
452	KBB	0.8791
453	I3A	0.8791
454	3HB	0.8790
455	8EW	0.8789
456	449	0.8788
457	4HC	0.8788
458	JJQ	0.8787
459	BFM	0.8786
460	IGA	0.8786
461	NZ3	0.8786
462	2A7	0.8786
463	CS2	0.8786
464	27L	0.8785
465	SHA	0.8785
466	A2F	0.8785
467	M5N	0.8785
468	K5W	0.8784
469	ESP	0.8784
470	5RG	0.8784
471	5RP	0.8784
472	ZXD	0.8784
473	92P	0.8783
474	4P5	0.8783
475	F0J	0.8783
476	P23	0.8783
477	ASO	0.8782
478	1X7	0.8782
479	NCT	0.8781
480	HA7	0.8781
481	IOS	0.8781
482	M1E	0.8780
483	53C	0.8780
484	DHS	0.8780
485	DY8	0.8780
486	TT4	0.8779
487	NID	0.8779
488	PA1	0.8779
489	3NT	0.8777
490	GLF	0.8777
491	4AV	0.8777
492	5NU	0.8775
493	SRO	0.8775
494	RES	0.8775
495	GOG	0.8775
496	1IT	0.8774
497	PXL	0.8773
498	0RN	0.8772
499	3C7	0.8772
500	NOJ	0.8771
501	NHC	0.8771
502	N2I	0.8769
503	XIY	0.8768
504	BGT	0.8768
505	AMG	0.8768
506	CLW	0.8768
507	M5E	0.8766
508	NOY	0.8765
509	DBH	0.8765
510	2SX	0.8765
511	1LQ	0.8765
512	EVA	0.8764
513	N5J	0.8764
514	7Y3	0.8764
515	XAZ	0.8764
516	BCU	0.8763
517	AJ2	0.8763
518	G2F	0.8763
519	B5D	0.8762
520	GLC	0.8762
521	AFR	0.8761
522	AUD	0.8761
523	J9W	0.8760
524	SOR	0.8760
525	GIM	0.8760
526	V55	0.8759
527	DBJ	0.8759
528	SWA	0.8759
529	9MG	0.8759
530	LQ2	0.8758
531	FUC	0.8758
532	AS3	0.8757
533	K2Q	0.8757
534	7HP	0.8757
535	L5V	0.8757
536	6DP	0.8757
537	FE DB1	0.8756
538	HHA	0.8756
539	1SQ	0.8756
540	II6	0.8754
541	6TZ	0.8753
542	G8M	0.8753
543	5IQ	0.8752
544	9RH	0.8752
545	EYK	0.8752
546	BGC	0.8752
547	MZM	0.8752
548	MR1	0.8752
549	M5B	0.8751
550	3R9	0.8751
551	C2Y	0.8751
552	M0W	0.8750
553	3C1	0.8750
554	MAJ	0.8750
555	1NP	0.8748
556	ROR	0.8748
557	H42	0.8747
558	M1Q	0.8747
559	45L	0.8746
560	0P6	0.8745
561	YH7	0.8745
562	ALL	0.8745
563	GIO	0.8745
564	SJ5	0.8745
565	9TZ	0.8744
566	3M0	0.8744
567	1FF	0.8744
568	VGD	0.8744
569	7N0	0.8744
570	F9Y	0.8744
571	4ZA	0.8744
572	52C	0.8743
573	YTX	0.8743
574	23J	0.8743
575	3C2	0.8742
576	ECG	0.8742
577	MFU	0.8742
578	PE0	0.8742
579	56D	0.8741
580	6FZ	0.8740
581	APS	0.8740
582	BPS	0.8740
583	FYU	0.8740
584	A9O	0.8739
585	GCS	0.8739
586	N2Z	0.8739
587	G5V	0.8738
588	A29	0.8738
589	3HP	0.8737
590	YSO	0.8737
591	GTZ	0.8736
592	4NG	0.8736
593	CSN	0.8735
594	3HA	0.8735
595	H62	0.8734
596	EA1	0.8734
597	DHI	0.8734
598	790	0.8734
599	4BZ	0.8733
600	MJ2	0.8733
601	5DI	0.8732
602	Q24	0.8731
603	UAN	0.8731
604	4TU	0.8730
605	2M5	0.8730
606	1P8	0.8729
607	DJN	0.8728
608	3F0	0.8728
609	XEN	0.8728
610	J9T	0.8727
611	HQJ	0.8727
612	KIF	0.8726
613	MVL	0.8726
614	DIE	0.8726
615	4HM	0.8726
616	AZ8	0.8726
617	4NM	0.8725
618	SNO	0.8724
619	2C0	0.8724
620	428	0.8724
621	MEW	0.8723
622	B2Y	0.8722
623	AQO	0.8722
624	5Q0	0.8722
625	RNO	0.8721
626	5M0	0.8721
627	ES1	0.8721
628	GLU	0.8720
629	BTY	0.8720
630	M5K	0.8719
631	IFL	0.8719
632	K2T	0.8718
633	CTL	0.8718
634	P22	0.8718
635	ESX	0.8718
636	8S0	0.8717
637	VOH	0.8717
638	CKA	0.8717
639	3CR	0.8716
640	DXG	0.8716
641	HTP	0.8716
642	GZL	0.8715
643	0UT	0.8715
644	4XV	0.8715
645	FBB	0.8714
646	4FS	0.8714
647	54G	0.8714
648	G3F	0.8714
649	QX4	0.8714
650	FOC	0.8713
651	A3M	0.8713
652	8ZE	0.8712
653	75K	0.8712
654	3S6	0.8711
655	GLY CYS	0.8711
656	KIA	0.8710
657	KIB	0.8710
658	3C4	0.8709
659	SN4	0.8708
660	FH2	0.8708
661	HMU	0.8706
662	4I8	0.8706
663	5WX	0.8706
664	4CS	0.8706
665	JRB	0.8706
666	92K	0.8706
667	PHY	0.8705
668	MHK	0.8705
669	7MU	0.8704
670	HIS	0.8704
671	TNX	0.8704
672	NDG	0.8703
673	HBU	0.8703
674	289	0.8703
675	3MG	0.8703
676	8XL	0.8703
677	3TJ	0.8702
678	JR2	0.8702
679	GOX	0.8702
680	36R	0.8702
681	03V	0.8702
682	2C2	0.8701
683	069	0.8701
684	KBG	0.8699
685	3BU	0.8698
686	MNP	0.8698
687	ARP	0.8698
688	4NB	0.8697
689	5JQ	0.8696
690	2AQ	0.8695
691	COU	0.8695
692	43W	0.8695
693	BPN	0.8695
694	ADE	0.8694
695	3AB	0.8692
696	ES5	0.8692
697	HH5	0.8691
698	0W8	0.8691
699	1SV	0.8690
700	PEY	0.8690
701	7FF	0.8689
702	JTH	0.8689
703	3MV	0.8689
704	3R6	0.8688
705	ICB	0.8688
706	F4E	0.8686
707	MO8	0.8686
708	VXX	0.8686
709	MAN	0.8686
710	BCK	0.8685
711	GIF	0.8684
712	CTS	0.8684
713	51R	0.8684
714	20J	0.8683
715	1Z8	0.8683
716	NMJ	0.8683
717	LDP	0.8683
718	ZGL	0.8682
719	GYP	0.8681
720	B2J	0.8681
721	AOS	0.8680
722	308	0.8680
723	3PG	0.8680
724	AGK	0.8679
725	FDK	0.8679
726	MT5	0.8678
727	XXG	0.8678
728	A2G	0.8678
729	CKU	0.8677
730	717	0.8676
731	AEZ	0.8675
732	9ZE	0.8674
733	M4E	0.8673
734	7HQ	0.8673
735	SR1	0.8672
736	49N	0.8672
737	KFH	0.8672
738	DPF	0.8670
739	12M	0.8670
740	SVD	0.8669
741	9FE	0.8669
742	787	0.8668
743	AEH	0.8668
744	1P3	0.8668
745	HQD	0.8668
746	PHB	0.8668
747	FP1	0.8667
748	CFF	0.8665
749	2LY	0.8665
750	OCH	0.8665
751	MUA	0.8664
752	CNL	0.8664
753	PAB	0.8663
754	TRP	0.8663
755	HPA	0.8663
756	5MK	0.8663
757	M74	0.8662
758	I6G	0.8662
759	SYV	0.8662
760	1M2	0.8662
761	4JQ	0.8661
762	7Q1	0.8661
763	GT0	0.8661
764	B55	0.8660
765	ZZT	0.8660
766	SEP	0.8659
767	XH2	0.8659
768	QMS	0.8659
769	GYE	0.8659
770	2BG	0.8658
771	IOP	0.8658
772	DEW	0.8658
773	9R5	0.8656
774	IF7	0.8656
775	LCN	0.8656
776	61O	0.8654
777	M1H	0.8654
778	DMJ	0.8653
779	8GC	0.8652
780	BM3	0.8652
781	NPO	0.8652
782	DHB	0.8652
783	4VY	0.8652
784	8H8	0.8650
785	7ME	0.8650
786	GVM	0.8650
787	ZON	0.8647
788	NDH	0.8647
789	NOK	0.8647
790	F34	0.8647
791	M1P	0.8647
792	FBV	0.8646
793	1L5	0.8646
794	SRT	0.8645
795	LGC	0.8645
796	CFA	0.8645
797	BZJ	0.8645
798	LRH	0.8642
799	LT3	0.8642
800	EOL	0.8642
801	6VD	0.8641
802	2AS	0.8641
803	67X	0.8640
804	HMH	0.8640
805	BBK	0.8639
806	BZS	0.8638
807	QDK	0.8638
808	XLS	0.8638
809	R20	0.8638
810	XUL	0.8637
811	IFP	0.8637
812	24B	0.8636
813	GDL	0.8635
814	P84	0.8635
815	HYA	0.8635
816	49O	0.8634
817	NBG	0.8634
818	MWP	0.8634
819	MCO	0.8633
820	GC2	0.8632
821	B62	0.8631
822	MNM	0.8630
823	ASF	0.8630
824	Q07	0.8629
825	261	0.8629
826	5HN	0.8628
827	AX3	0.8628
828	UFV	0.8627
829	AHR	0.8627
830	SMN	0.8627
831	ONL	0.8626
832	4JT	0.8625
833	46P	0.8625
834	CIP	0.8625
835	GLL	0.8625
836	ZZ3	0.8624
837	DGJ	0.8624
838	4XS	0.8623
839	HXX	0.8623
840	GJP	0.8620
841	5RO	0.8620
842	VM1	0.8619
843	BTE	0.8619
844	259	0.8618
845	3Z8	0.8617
846	DAL DAL	0.8616
847	3SK	0.8616
848	PJW	0.8616
849	TQU	0.8615
850	PTO	0.8615
851	DS0	0.8615
852	3PF	0.8614
853	6M4	0.8614
854	SYG	0.8614
855	G2H	0.8613
856	GRO	0.8613
857	DQU	0.8612
858	RM4	0.8612
859	GLN	0.8612
860	SHG	0.8610
861	PZI	0.8610
862	DIU	0.8610
863	FBW	0.8609
864	HDH	0.8609
865	EHM	0.8608
866	3U4	0.8607
867	PZM	0.8607
868	5QX	0.8605
869	2CZ	0.8604
870	XCZ	0.8603
871	5QY	0.8603
872	M3Q	0.8602
873	SAL	0.8602
874	FUL	0.8602
875	BZX	0.8601
876	ZB1	0.8600
877	HC4	0.8600
878	FBF	0.8598
879	DHY	0.8598
880	G1P	0.8595
881	RB0	0.8595
882	LNR	0.8595
883	44V	0.8594
884	3BZ	0.8594
885	GZQ	0.8591
886	7CT	0.8590
887	JKE	0.8589
888	WCE	0.8588
889	S7J	0.8588
890	ZWZ	0.8587
891	9BF	0.8587
892	BE2	0.8587
893	KG1	0.8587
894	INO	0.8584
895	5LA	0.8582
896	XYL	0.8582
897	ARW	0.8582
898	JAA	0.8580
899	1LN	0.8579
900	FCB	0.8578
901	MYJ	0.8577
902	9FQ	0.8576
903	57O	0.8575
904	RIB	0.8575
905	K6H	0.8575
906	4NC	0.8574
907	2B4	0.8573
908	4FA	0.8573
909	SNE	0.8572
910	E1P	0.8572
911	YRL	0.8569
912	3GQ	0.8568
913	4RU	0.8567
914	2LP	0.8567
915	J6W	0.8565
916	8NX	0.8565
917	3FH	0.8564
918	N3W	0.8564
919	R8V	0.8564
920	E7Z	0.8564
921	173	0.8563
922	JND	0.8561
923	8OZ	0.8560
924	8WT	0.8560
925	RMN	0.8559
926	X1P	0.8553
927	5VJ	0.8552
928	2HO	0.8552
929	TTL	0.8551
930	5NS	0.8550
931	AC6	0.8548
932	XX2	0.8548
933	TNE	0.8544
934	7MK	0.8542
935	JZ4	0.8542
936	36E	0.8539
937	ISJ	0.8536
938	PXM	0.8532
939	AOZ	0.8526
940	T9G	0.8521
941	HBD	0.8521
942	UFO	0.8516
943	UNJ	0.8512
944	X05	0.8512
945	5GT	0.8508

Ligand no: 2; Ligand: R3A; Similar ligands found: 0

No:	Ligand	Similarity coefficient

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

Pocket No.: 1; Query (leader) PDB : 5WB6; Ligand: 9ZM; Similar sites found with APoc: 1

This union binding pocket(no: 1) in the query (biounit: 5wb6.bio1) has 34 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	1NFU	RRP	49.5902

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