• Home
• Faq
• Browse
• Search
• Download
• Contact Us

Help?

Showing PDB: 6H36

Navigate

Expand All | Collapse All

Receptor | Ligand | View in 3D

Family: 90% | 70% | 50% | site

External Links

|

Download

      Structure Biounit | Ligand Information

PDB           : .ZIP | .CSV

Family 90% : .ZIP | .CSV

Class         : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6H36	1.85 Å	EC: 4.2.1.1	THE CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE VII IN COM 4-(4-PHENYLPIPERIDINE-1-CARBONYL)BENZENESULFONAMIDE.	HOMO SAPIENS	PROTEIN-INHIBITOR BINDING LYASE
Ref.:	EXPLORING STRUCTURAL PROPERTIES OF POTENT HUMAN CAR ANHYDRASE INHIBITORS BEARING A 4-(CYCLOALKYLAMINO-1-CARBONYL)BENZENESULFONAMIDE MO EUR J MED CHEM V. 163 443 2018

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
ZN	A:301;	Part of Protein;	none;	submit data		65.409	Zn	[Zn+2...
FKE	A:302;	Valid;	none;	Ki = 0.45 nM		344.428	C18 H20 N2 O3 S	c1ccc...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
6H36	1.85 Å	EC: 4.2.1.1	THE CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE VII IN COM 4-(4-PHENYLPIPERIDINE-1-CARBONYL)BENZENESULFONAMIDE.	HOMO SAPIENS	PROTEIN-INHIBITOR BINDING LYASE
Ref.:	EXPLORING STRUCTURAL PROPERTIES OF POTENT HUMAN CAR ANHYDRASE INHIBITORS BEARING A 4-(CYCLOALKYLAMINO-1-CARBONYL)BENZENESULFONAMIDE MO EUR J MED CHEM V. 163 443 2018

Members (5)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 19 families.
1	6H36	Ki = 0.45 nM	FKE	C18 H20 N2 O3 S	c1ccc(cc1)....
2	6H37	Ki = 2.6 nM	FKQ	C18 H20 N2 O4 S	c1ccc(cc1)....
3	6H38	Ki = 7.8 nM	FKK	C18 H20 F N3 O3 S	c1cc(ccc1C....
4	3ML5	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
5	6SDT	Ki = 16.1 nM	L8N	C12 H12 N O5 P S	c1ccc(cc1)....

70% Homology Family (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 14 families.
1	6H36	Ki = 0.45 nM	FKE	C18 H20 N2 O3 S	c1ccc(cc1)....
2	6H37	Ki = 2.6 nM	FKQ	C18 H20 N2 O4 S	c1ccc(cc1)....
3	6H38	Ki = 7.8 nM	FKK	C18 H20 F N3 O3 S	c1cc(ccc1C....

50% Homology Family (638)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 5 families.
1	3K34	-	SUA	C13 H14 N2 O3 S3	c1cc(ccc1N....
2	4XE1	Ki = 77.3 nM	IL5	C7 H6 N2 O5 S2	c1cc2c(cc1....
3	5JG3	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
4	4HT0	Kd = 10 nM	V50	C12 H9 F4 N3 O2 S2	Cc1cc(nc(n....
5	1IF8	Kd = 230 pM	SBS	C19 H21 N3 O3 S	C[C@@H](CN....
6	6ODZ	Ki = 0.7 nM	M8J	C15 H18 N4 O5 S	c1cc(ccc1N....
7	7JO2	Ki = 2.4 nM	VFM	C6 H10 N4 O3 S2	CC(C)C(=O)....
8	1I9L	Kd = 3.3 nM	INV	C14 H13 F N2 O3 S	c1cc(ccc1C....
9	6PGX	Ki = 0.62 nM	OJ4	C18 H24 N2 O8 S2 Te	c1cc(ccc1O....
10	3VBD	Ki = 8.6 nM	0FZ	C16 H16 N2 O3 S	COc1ccc2c(....
11	7JNX	Ki = 63.4 nM	VGS	C7 H12 N4 O3 S2	CC(C)(C)C(....
12	3M5E	Kd = 0.043 uM	JDR	C13 H13 Cl N4 O3 S2	CSc1nc(c(c....
13	6BBS	-	BZ1	C12 H21 N3 O5 S3	CCN[C@H]1C....
14	6FJJ	Ki = 100 nM	LSA	C7 H5 N O3 S	c1ccc2c(c1....
15	3P5A	Ki = 0.95 nM	IT2	C5 H9 N O S2	C1COCCN1C(....
16	2AW1	Ki = 43 nM	COX	C16 H14 N2 O3 S	Cc1c(c(no1....
17	4M2W	-	ETS	C10 H16 N2 O4 S3	CCN[C@H]1C....
18	5J8Z	Ki = 5 nM	FC4	C20 H16 Cl N5 O4 S2	C[C@H](C(=....
19	4QTL	Kd = 120 nM	WWO	C15 H15 F3 N2 O5 S2	c1ccc(cc1)....
20	6QFU	Kd = 35 nM	J0K	C24 H29 Cl Ir N3 O4 S	CC12C3([Ir....
21	5BYI	Ki = 30.7 nM	4WA	C12 H12 N4 O2 S	c1cc(ccc1N....
22	6G6T	Kd = 0.16 nM	ENN	C11 H14 Cl2 N2 O3 S	CCCCNC(=O)....
23	4PYX	Kd = 730 nM	V90	C16 H23 F3 N2 O3 S2	C1CCCC(CCC....
24	5WLT	Ki = 155.5 nM	86B	C12 H20 N2 O4 S	CC(C)NC[C@....
25	5FLT	Kd = 1280 uM	VJJ	C13 H10 O3	c1ccc(cc1)....
26	4RIV	-	LSA	C7 H5 N O3 S	c1ccc2c(c1....
27	5NEA	Ki = 0.05 nM	8V8	C10 H10 N2 O3 S	Cc1ncc(o1)....
28	5EKM	Kd = 0.48 uM	TG5	C12 H19 N3 O3 S	CCCCNCC(=O....
29	3MHC	Ki = 11 nM	ARZ	C13 H18 N4 O3 S2	C1C2CC3CC1....
30	6T7U	Ki = 0.5 nM	X33	C5 H8 B10 N O2 S	B1234B567B....
31	6YZJ	-	Q2Z	C4 H6 B10 N O2 S	B1234B567B....
32	5NXG	Ki = 2.8 nM	RA1	C13 H10 Cl N3 O5 S	c1cc(ccc1N....
33	5L6K	-	QUK QVS 6H0 QUJ QVE	n/a	n/a
34	6B4D	Ki = 0.78 uM	53X	C15 H15 N3 O2	CCn1cc(c2c....
35	3M96	Kd = 0.06 uM	E38	C15 H11 Br Cl N3 O3 S2	c1cc(c(cc1....
36	4ITP	Ki = 54 nM	1GD	C15 H16 N2 O3 S	c1ccc(cc1)....
37	6CJV	Ki = 300 nM	RRY RRJ	n/a	n/a
38	2GD8	ic50 = 379 nM	PO1	C19 H28 N2 O7 S2	C[C@]12CC[....
39	5G03	-	OE2	C11 H14 Br N3 O5 S	c1cc(c(cc1....
40	7JNV	Ki = 53.8 nM	VFJ	C6 H10 N4 O3 S2	CCCC(=O)Nc....
41	4QSI	Kd = 50 nM	EWZ	C16 H18 Cl N3 O4 S2	CC(C)(C)C1....
42	7K6T	-	VYV	C15 H18 N4 O5 S2	c1ccc(cc1)....
43	1BNV	Kd = 1.7 nM	AL7	C14 H17 N3 O5 S3	CN[C@@H]1C....
44	1I9Q	Kd = 3.9 nM	IOF	C14 H11 F3 N2 O3 S	c1cc(ccc1C....
45	6IC2	Ki = 917.4 nM	BBJ	C11 H13 Br F N7 O4 S	c1cc(c(cc1....
46	6RSZ	-	KJ5	C8 H7 F4 N O2 S	CCc1c(c(c(....
47	2Q1Q	Ki = 7 nM	OSP	C10 H14 N2 O4 S2	c1cc(ccc1N....
48	5LJT	Ki = 1.2 nM	A6N	C15 H16 N4 O3 S	c1ccc(cc1)....
49	1G0E	-	4MZ	C4 H6 N2	Cc1c[nH]cn....
50	4QIY	Kd = 50 nM	WWX	C22 H21 F3 N2 O6 S2	c1ccc(cc1)....
51	2OSF	Ki = 148 uM	TH0	C6 H6 O2 S	c1cc(c(cc1....
52	5BRV	Kd = 0.96 nM	9TH	C28 H31 Cl Ir N3 O4 S2	C[C-]12C3(....
53	6RW1	Ki = 1305 nM	KL5	C15 H16 B N2 O3 S	[B-]1(c2cc....
54	6SAC	-	47J	C6 H11 N3	Cc1cc(n(n1....
55	6D1L	Ki = 7.6 nM	FQV	C10 H11 N O2 S Se	CC#CC[Se]c....
56	5U0E	Kd = 7.7 uM	7R4	C10 H9 N O S2	c1ccc(cc1)....
57	4PYY	Kd = 59 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
58	6XXT	Ki = 3.7 nM	O42	C18 H19 N3 O4 S	c1ccc(cc1)....
59	1G45	Kd = 2.3 nM	FSB	C14 H13 F N2 O3 S	c1ccc(c(c1....
60	5FNK	Kd = 1005 uM	5OO	C9 H6 Cl2 O2	c1cc(c(cc1....
61	2NNO	Kd = 0.4 uM	M28	C9 H11 N O4 S	c1cc(ccc1C....
62	4Q81	Ki = 950 uM	7MH	C7 H9 N O S	CC1=CC(=S)....
63	3CA2	-	AMS	C6 H7 Hg N2 O2 S	c1cc(c(cc1....
64	4Q7P	Ki = 48 uM	3MH	C6 H7 N O S	CC1=CC=CN(....
65	4YYT	Kd = 418.3 nM	S2O	C8 H11 N O3 S	c1cc(ccc1C....
66	5E2K	Ki = 9.3 nM	BX4	C12 H12 N2 O2 S	c1cc(cc(c1....
67	3M2N	-	J74	C12 H12 Cl N5 O4 S	c1cc(ccc1C....
68	6H3Q	Ki = 47.3 nM	FMH	C10 H9 Cl N2 O2 S Se	c1cc(ccc1c....
69	3OYS	Ki = 9 nM	OYS	C14 H14 N2 O3 S	c1ccc(cc1)....
70	6RVK	Ki = 439 nM	R29	C15 H16 B N2 O4	[B-]1(c2cc....
71	6H29	Ki = 2.4 uM	FK8	C8 H9 N O2	c1ccc(cc1)....
72	3RYZ	Kd = 2.4 nM	RYZ	C11 H9 F7 N2 O3 S	c1cc(ccc1C....
73	4M2V	-	BZ1	C12 H21 N3 O5 S3	CCN[C@H]1C....
74	3S8X	Kd = 0.07 uM	E59	C13 H13 N3 O4 S2	CC1=CC(=O)....
75	5U0G	-	7QY	C12 H13 N O4 S	COc1ccc(c(....
76	3K7K	Kd ~ 8.86 nM	KCS	C H2 S3	C(=S)(S)S
77	3T83	Ki = 105 nM	MG5	C15 H25 N O11 S	CCC(=O)O[C....
78	3BL1	Ki = 2520 nM	BL1	C16 H16 Cl N3 O3 S	C[C@H]1Cc2....
79	5EH7	Kd = 330 uM	5O5	C8 H6 Cl2 N4 O	c1cc(c(cc1....
80	4RUY	Ki = 12.8 nM	3W6	C9 H13 N O3 S	CCCOc1ccc(....
81	3MHO	Kd = 0.32 uM	J43	C12 H11 Cl N4 O3 S2	CSc1nc(c(c....
82	6UGN	Ki = 763.5 nM	Q77	C9 H10 N2 O3 S	Cc1cc(c2c(....
83	6YZT	Ki = 622 nM	Q3E	C5 H8 B10 N O2 S	B1234B567B....
84	4YX4	Kd = 1073.4 nM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
85	4N16	ic50 = 0.22 mM	CHD	C24 H40 O5	C[C@H](CCC....
86	3K2F	Ki = 63 nM	NKX	C14 H20 N4 O12 S3	CCN([C@H]1....
87	2WEO	Kd = 118 nM	FBW	C6 H6 F N O2 S	c1cc(cc(c1....
88	6UGR	Ki = 533.6 nM	Q71	C7 H5 F N2 O3 S	c1cc2c(cc1....
89	3PO6	-	DT9	C12 H18 N2 O4 S	C[C@H]1c2c....
90	3V7X	Ki = 2.7 nM	D7A	C17 H20 N2 O5 S	COc1ccc(cc....
91	3IBU	Ki = 0.7 nM	O48	C10 H23 N O3 S	CCCCCCCCCC....
92	6S03	Ki = 17 nM	KPW	C25 H26 N6 O2 S	Cc1cccc(n1....
93	1BNT	Kd = 0.16 nM	AL2	C13 H14 N2 O6 S3	COc1ccc(cc....
94	4YXU	Kd = 57.4 nM	4JE	C9 H13 N O2 S	CCCc1ccc(c....
95	4Q09	Kd = 6.7 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
96	6RJJ	-	K5W	C6 H5 F2 N O2 S	c1cc(c(c(c....
97	5FLS	Kd = 905 uM	6ZX	C10 H9 Cl O2	C/C(=CC(=O....
98	3DCS	Ki = 11.4 nM	MZM	C5 H8 N4 O3 S2	CC(=O)/N=C....
99	5TYA	Kd = 32.9 uM	7QS	C9 H7 N O2 S	c1ccc(cc1)....
100	7K6J	Ki = 50.8 nM	VYY	C16 H20 N4 O5 S2	Cc1ccc(cc1....
101	3RYV	Kd = 86 nM	RYV	C9 H12 N2 O3 S	CCNC(=O)c1....
102	2WEJ	Kd = 839 nM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
103	6WQ4	Ki = 368.5 nM	U7A	C29 H34 N4 O3 S	c1ccc(cc1)....
104	3MYQ	Kd = 0.03 uM	E27	C18 H13 Cl N4 O3 S2	c1ccc2c(c1....
105	6SD7	-	SXG	C12 H3 F9 N2 O4 S2	c1(c(c(c(c....
106	6YO2	-	P6Q	C5 H8 B10 N O2 S	B12B34B156....
107	4ZWZ	-	510	C12 H22 N2 O12 S2	COC(=O)[C@....
108	6RZX	Ki = 7 nM	KPQ	C4 H2 F9 N O2 S	C(C(C(F)(F....
109	4Q6D	Kd = 0.0435 uM	WW3	C12 H18 N4 O2 S	c1cc(ccc1/....
110	3V5G	Ki = 74 nM	0F3	C6 H9 N3 O4 S2	c1cc(ccc1N....
111	1EOU	ic50 = 36 nM	SMS	C9 H15 N O10 S2	CC1(O[C@H]....
112	4RFC	Ki = 5.7 nM	3O1	C15 H24 N2 O5 S	CC(C)(C)OC....
113	6H33	Ki = 0.6 nM	FKQ	C18 H20 N2 O4 S	c1ccc(cc1)....
114	5VGY	Kd = 65.5 uM	9AA	C12 H14 N2 O4 S	COc1ccc(c(....
115	1BN4	Kd = 0.49 nM	AL9	C12 H14 N2 O5 S3	COc1ccc(cc....
116	6T9Z	Ki = 1.178 nM	MYW	C5 H8 B9 N O2 S	B123B45B16....
117	5NY3	Ki = 33.9 nM	9E8	C15 H16 Cl N3 O3 S	c1cc(ccc1C....
118	1G4O	Kd = 5.6 nM	BSB	C14 H14 N2 O3 S	c1ccc(cc1)....
119	6S9G	-	L1Q	C9 H9 F4 N O2 S	CCCc1c(c(c....
120	6YZO	-	Q3K	C8 H14 B10 N O2 S	B1234B567B....
121	5SZ3	Ki = 2.5 nM	72H	C15 H12 N2 O2 S	c1ccc2c(c1....
122	6YZQ	Ki = 870.1 nM	Q3Q	C6 H10 B10 N O2 S	B1234B567B....
123	4RUZ	-	3W8	C8 H11 N O3 S	CCOc1ccc(c....
124	3KIG	ic50 = 245 nM	DA4	C8 H7 N O2 S	C#Cc1cccc(....
125	3EFI	-	TRP	C11 H12 N2 O2	c1ccc2c(c1....
126	5SZ5	-	72E	C13 H13 N O2 S	Cc1ccccc1c....
127	3N0N	Ki = 50 nM	P9B	C13 H8 F5 N3 O3 S	c1cc(ccc1N....
128	4Q06	Kd = 22 nM	V90	C16 H23 F3 N2 O3 S2	C1CCCC(CCC....
129	6CEH	Ki = 36.5 nM	EZ1	C9 H11 N O2 S Se	C=CC[Se]c1....
130	2X7T	Ki = 232 nM	WZB	C20 H30 N2 O6 S2	CCc1cc2c(c....
131	4Z1J	Ki = 7.7 nM	4KC	C16 H16 N2 O3 S	c1ccc2c(c1....
132	5U0F	Kd = 3.4 uM	7R1	C12 H13 N O3 S2	COc1ccc(c(....
133	6OE0	Ki = 1.2 nM	M8S	C17 H22 N4 O5 S	c1cc(ccc1N....
134	3T5Z	Ki = 8.96 uM	B09	C7 H9 N O3 S	CONS(=O)(=....
135	4FIK	-	TH0	C6 H6 O2 S	c1cc(c(cc1....
136	7JOB	Ki = 15.7 nM	VGV	C9 H14 N4 O3 S2	C1CCC(CC1)....
137	4E3D	ic50 = 5 mM	GTQ	C7 H6 O4	c1cc(c(cc1....
138	1G46	Kd = 1.6 nM	F2B	C14 H12 F2 N2 O3 S	c1cc(c(c(c....
139	5JEP	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
140	6R6J	Kd = 0.12 nM	JTW	C15 H15 Cl N2 O6 S2	c1ccc(cc1)....
141	6Z04	-	Q3W	C6 H10 B9 N O2 S	B123B45B16....
142	3IBL	Ki = 14.6 nM	O59	C8 H20 N2 O6 S2	C(CCCCOS(=....
143	6UGQ	-	Q7A	C7 H5 Cl N2 O3 S	c1cc2c(c(c....
144	6YZL	-	Q3T	C3 H4 B10 N O2 S	B1234B567B....
145	5CLU	Ki = 78 uM	S8A	C9 H7 N O5 S	c1ccc2c(c1....
146	6RVL	Ki = 1148 nM	KKE	C14 H14 B N2 O3 S	[B+]1(c2cc....
147	5FLR	Kd = 1.35 uM	XCZ	C5 H7 N3 O2 S	Cc1ccnc(n1....
148	5EKH	Kd = 1.11 uM	5RD	C11 H18 N2 O2 S	CCCCNCc1cc....
149	5JG5	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
150	6GOT	Ki = 0.4 nM	F6W	C14 H15 N O2 S2	c1ccc(cc1)....
151	6ROB	-	KBZ	C7 H6 N2 O2 S	c1cc(ccc1C....
152	5ULN	Ki = 14.2 nM	8JS	C13 H12 F N3 O2 S2	c1cc(ccc1N....
153	1IF6	-	FBU	C6 H5 F2 N O2 S	c1c(cc(cc1....
154	2O4Z	Ki = 566 nM	HSW	H4 N2 O3 S	NS(=O)(=O)....
155	3T84	Ki = 106 nM	SG6	C8 H15 N O9 S	CC(=O)O[C@....
156	4Q78	-	25X	C3 H5 B10 N2 O2 S	B1234B567B....
157	7JNW	Ki = 75.1 nM	VFM	C6 H10 N4 O3 S2	CC(C)C(=O)....
158	5EH8	Kd = 791 uM	5O6	C11 H12 O3	C/C(=CC(=O....
159	6C7X	Ki = 65.2 nM	EO7	C10 H13 Cl N6 O6 S	c1nc2c(nc(....
160	7K6Z	-	VZD	C15 H17 F N4 O5 S2	c1cc(ccc1N....
161	5JGT	-	EVI	C3 H4 N2 O2 S2	c1csc(n1)S....
162	2WD2	-	MS5	C18 H22 N2 O5 S	COc1cccc(c....
163	1CRA	-	TRI	C2 H3 N3	c1[nH]cnn1
164	6QL1	Kd = 15 nM	V50	C12 H9 F4 N3 O2 S2	Cc1cc(nc(n....
165	6MBY	-	FER	C10 H10 O4	COc1cc(ccc....
166	5W8B	-	A57	C17 H26 N3	Cc1cc([n+]....
167	4KNJ	Kd = 11.1 nM	E1F	C12 H10 Cl N3 O3 S2	c1cnc(nc1)....
168	1OKM	-	SAB	C11 H17 N3 O3 S	c1cc(ccc1C....
169	3RZ5	Kd = 13 nM	RZ5	C12 H18 N2 O3 S	CCCCCNC(=O....
170	4Q7S	Ki = 38 uM	2YU	C6 H7 N O S	CC1=CC(=S)....
171	6U4T	Ki = 78.7 nM	PX7	C8 H8 N2 O3 S	CN1c2ccccc....
172	3N4B	Ki = 96 nM	WWZ	C13 H12 F N3 O3 S	c1cc(ccc1N....
173	3M1K	Ki = 4.1 uM	BEW	C5 H6 N O S	c1cc[n+](c....
174	1CIM	Ki = 1.52 nM	PTS	C8 H12 N2 O4 S3	C[C@H]1C[C....
175	4MLT	Ki = 1.4 mM	TM4	C6 H6 O2 S	CC1=C(C(=S....
176	3HKN	Ki = 4.51 uM	Z3K Z3L	n/a	n/a
177	4RFD	Ki = 8.9 nM	3O5	C10 H16 N2 O3 S	c1cc(ccc1O....
178	2GEH	Ki = 28 uM	NHY	C H4 N2 O2	C(=O)(N)NO
179	4ZX1	-	5L3	C13 H24 N2 O11 S2	CC(=O)O[C@....
180	4E49	Ki = 7.7 uM	RCO	C6 H6 O2	c1cc(cc(c1....
181	6UFB	Ki = 4.4 nM	Q64	C17 H16 N2 O4 S	CC(=O)/C(=....
182	6EDA	Ki = 0.2 uM	J3V	C14 H11 F3 N4 O6 S	c1cc(ccc1C....
183	3M3X	Kd = 0.15 uM	JS7	C13 H15 N5 O5 S	COc1c(c(nc....
184	6B5A	-	CQS	C15 H17 N7 O3 S	c1cc(ccc1C....
185	3B4F	Ki = 7.2 nM	TUO	C15 H14 N4 O3 S	c1ccc(cc1)....
186	5SZ0	Ki = 0.8 nM	72D	C12 H11 N O2 S	c1ccc(cc1)....
187	4E3G	Ki = 10.6 uM	PHB	C7 H6 O3	c1cc(ccc1C....
188	4M2U	Ki = 9.1 nM	ETS	C10 H16 N2 O4 S3	CCN[C@H]1C....
189	6EEO	Ki = 0.37 uM	J6V	C14 H13 F N4 O6 S	Cc1cc(ccc1....
190	4MDL	Ki = 1.16 uM	25Y	C3 H5 B10 N2 O2 S	B1234B567B....
191	4R5B	Ki = 185 nM	3J4	C10 H20 N2 O10 S2	C1CN(C[C@@....
192	4Q99	Ki = 0.52 uM	HT4	C7 H8 O S	Cc1ccc(c(c....
193	6WQ5	Ki = 57 nM	U7G	C26 H34 N4 O4 S	c1ccc(cc1)....
194	5N0E	Ki = 3.6 nM	8F3	C22 H20 N2 O5 S	c1ccc(cc1)....
195	4Z1E	Ki = 5.7 nM	DF5	C17 H15 N2 O4 S	COc1ccc2c(....
196	5WEX	Ki = 66.3 nM	8JS	C13 H12 F N3 O2 S2	c1cc(ccc1N....
197	1BNQ	Kd = 0.32 nM	AL4	C11 H19 N3 O5 S3	CCN[C@H]1C....
198	1XPZ	Kd = 84 nM	4TZ	C16 H14 N6 O3 S	c1cc(ccc1C....
199	6H34	Ki = 0.5 nM	FKK	C18 H20 F N3 O3 S	c1cc(ccc1C....
200	6SBH	-	BE7	C7 H5 Cl Hg O2	c1cc(ccc1C....
201	6QL2	Kd = 1.1 nM	EZL	C9 H10 N2 O3 S2	CCOc1ccc2c....
202	4Z1N	Ki = 5.89 nM	4KD	C18 H20 N2 O5 S	COc1cc2c(c....
203	6H2Z	Ki = 0.5 nM	FKE	C18 H20 N2 O3 S	c1ccc(cc1)....
204	2NNV	Kd = 0.03 uM	M29	C11 H15 N O4 S	CCOC(=O)CC....
205	4Q8X	Ki = 270 uM	7FH	C6 H4 F3 N O S	C1=CC(=S)N....
206	4KV0	Ki = 12 nM	MB7	C13 H14 N4 O5 S2	Cc1ccc(cc1....
207	1G1D	Kd = 0.36 nM	FSB	C14 H13 F N2 O3 S	c1ccc(c(c1....
208	4R5A	Ki = 2 nM	3J4	C10 H20 N2 O10 S2	C1CN(C[C@@....
209	5SZ7	-	72H	C15 H12 N2 O2 S	c1ccc2c(c1....
210	4PZH	Kd < 10 nM	V13	C8 H7 F4 N O5 S2	C(CS(=O)(=....
211	4Q07	Kd = 7.3 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
212	3N3J	Ki = 3.3 nM	WWV	C16 H19 N3 O3 S	CC(C)c1ccc....
213	3CAJ	Ki = 8 nM	EZL	C9 H10 N2 O3 S2	CCOc1ccc2c....
214	5DOH	Kd = 32 nM	5DU	C17 H17 F3 N2 O3 S2	c1ccc2c(c1....
215	5TI0	Ki = 61 uM	7CZ	C7 H6 O S	C1=CC=C(C(....
216	6SDJ	-	J3K	C3 H9 N O	C[C@H](CN)....
217	4RIU	-	3QR	C16 H18 N4 O9 S	c1cc2c(cc1....
218	3NI5	Ki = 28 nM	C1H	C13 H15 N5 O9 S3	c1cc(cc(c1....
219	6YZX	Ki = 29.48 nM	Q3H	C8 H14 B9 N O2 S	B123B45B16....
220	3SBH	Kd = 0.22 uM	E65	C14 H15 N3 O3 S2	Cc1cc(nc(n....
221	6SAS	-	463	C9 H12 N2 O	CC(=O)Nc1c....
222	4QY3	Ki = 0.15 uM	3G1	C14 H12 O3 S	c1ccc(cc1)....
223	3D9Z	Ki = 2 nM	D9Z	C8 H6 Cl N3 O2 S2	c1ccc(c(c1....
224	5MJN	Ki = 2.9 nM	7O8	C11 H10 Cl N O2 S3	c1cc(ccc1C....
225	6RG3	Ki = 8.1 nM	K1W	C18 H21 N3 O3 S	c1ccc(cc1)....
226	6QFV	Kd = 49 nM	J0N	C24 H29 Cl Ir N3 O3 S	CC12C3([Ir....
227	4HEZ	-	1MZ	C4 H7 N2	Cn1cc[nH+]....
228	1G52	Kd = 0.29 nM	F2B	C14 H12 F2 N2 O3 S	c1cc(c(c(c....
229	5TY8	Kd = 3.5 uM	7Q1	C9 H7 N O3	c1ccc(cc1)....
230	6YO4	-	P8B	C5 H8 B10 N O2 S	B1234B567B....
231	4Q87	Ki = 14 uM	4FH	C6 H4 F3 N O S	C1=CN(C(=S....
232	1I9O	Kd = 3.8 nM	IOC	C14 H11 F3 N2 O3 S	c1cc(ccc1C....
233	5FLQ	Kd = 1080 uM	IO2	C15 H14 O3	c1ccc(cc1)....
234	1YDD	Kd = 86 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
235	2POV	Ki = 75 nM	I7B	C6 H8 Cl N3 O4 S2	c1c(c(cc(c....
236	1G4J	Kd = 2 nM	FFB	C14 H9 F5 N2 O3 S	c1cc(ccc1C....
237	6E91	Ki = 0.08 uM	J04	C20 H23 N2 O7 S	COc1cc(cc(....
238	3D8W	Ki = 7 nM	D8W	C8 H8 N4 O4 S3	c1ccc(cc1)....
239	5FNH	-	YIP	C8 H6 Cl N4 O	c1cc(cc(c1....
240	2WEH	Kd = 1125 nM	FB1	C6 H6 Cl N O2 S	c1ccc(c(c1....
241	5NXP	Ki = 10.2 nM	9DH	C15 H17 N3 O3 S	CN(CC(=O)N....
242	3M67	Kd = 0.18 uM	E36	C17 H14 Cl N3 O5 S2	c1cc(c(cc1....
243	1I9M	Kd = 3.3 nM	INW	C14 H12 F2 N2 O3 S	c1cc(ccc1C....
244	5JE7	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
245	2X7S	Ki = 1660 nM	WZC	C19 H27 N O5 S	C[C@]12CC[....
246	5BRU	-	8TH	C30 H35 Cl Ir N3 O4 S2	CCCC12C3([....
247	2FMG	-	PHE	C9 H11 N O2	c1ccc(cc1)....
248	1TTM	Kd = 45 nM	667	C14 H15 N O5 S	c1cc2c(cc1....
249	5NY6	Ki = 13.5 nM	R92	C15 H15 Cl N2 O4 S	C[C@@H](c1....
250	3MHM	Kd = 0.1 uM	J75	C18 H18 N6 O4 S	c1ccc(cc1)....
251	2POW	Ki = 63 nM	I7C	C7 H8 F3 N3 O4 S2	c1c(c(cc(c....
252	6RM1	-	45L	C8 H10 N2 O	Cc1cccc(c1....
253	5TXY	Kd = 3.5 uM	7Q1	C9 H7 N O3	c1ccc(cc1)....
254	6YZS	Ki = 1296 nM	Q3N	C7 H12 B10 N O2 S	B1234B567B....
255	1AVN	Kd = 0.125 mM	HSM	C5 H9 N3	c1c(nc[nH]....
256	6E8P	-	HZJ	C18 H22 N2 O6 S2	C[C@]12CCc....
257	5EHW	Kd = 1005 uM	5OO	C9 H6 Cl2 O2	c1cc(c(cc1....
258	1LUG	-	SUA	C13 H14 N2 O3 S3	c1cc(ccc1N....
259	5LJQ	Ki = 1 nM	ANV	C15 H16 N4 O3 S	c1ccc(cc1)....
260	4E4A	ic50 = 9 mM	JKE	C7 H6 O2 S	c1ccc(c(c1....
261	1ZE8	Ki = 21 nM	PIU	C16 H21 N2 O2 S	Cc1cc([n+]....
262	6UGZ	-	Q71	C7 H5 F N2 O3 S	c1cc2c(cc1....
263	6S9Z	-	L2K	C11 H10 F2 N4	c1cc(c(cc1....
264	1BNN	Kd = 0.1 nM	AL1	C13 H14 N2 O5 S3	COc1cccc(c....
265	6QL3	Kd = 4.5 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
266	4RUX	Ki = 12 nM	3W3	C9 H11 N O3 S	C=CCOc1ccc....
267	5BNL	-	2HC	C9 H8 O3	c1ccc(c(c1....
268	1XQ0	Kd = 454 nM	4TR	C16 H13 Br N6 O3 S	c1cc(ccc1C....
269	2Q1B	Ki = 5950 nM	LSA	C7 H5 N O3 S	c1ccc2c(c1....
270	4Q8Y	Ki = 2300 uM	HQT	C9 H7 N O S	c1ccc2c(c1....
271	5THN	Ki = 96 uM	7CZ	C7 H6 O S	C1=CC=C(C(....
272	4YXO	Kd = 91.4 nM	4JC	C8 H11 N O2 S	CCc1ccc(cc....
273	5DOG	-	5DT	C21 H19 F3 N2 O2 S2	c1ccc(cc1)....
274	3BET	ic50 = 1.5 uM	CTF	C21 H28 N2 O4 S	C[C@]12CC[....
275	6QFW	Kd = 149 nM	JR8	C25 H31 Cl Ir N3 O4 S	CC12C3([Ir....
276	6GCY	Ki = 50 nM	3QR	C16 H18 N4 O9 S	c1cc2c(cc1....
277	7JNR	Ki = 66.5 nM	VFG	C5 H8 N4 O3 S2	CCC(=O)Nc1....
278	4R59	Ki = 11 nM	3J3	C11 H22 N2 O10 S2	C1CN(CCC1O....
279	5DRS	Kd = 1.1 nM	5EF	C17 H17 F3 N2 O5 S2	c1ccc2c(c1....
280	5FDC	Ki = 34.8 nM	5WN	C9 H10 N2 O2 S2	c1ccc2c(c1....
281	1YDA	Kd = 280 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
282	5NXI	Ki = 217.4 nM	9DE	C12 H11 Br N2 O4 S2	c1cc(ccc1N....
283	1CNX	Kd = 43 nM	EG2	C13 H21 N3 O5 S	c1cc(ccc1C....
284	6RMP	-	47S	C9 H13 N3 O	CN(C)c1ccc....
285	5LMD	-	RC4	C16 H18 B N2 O5	[B-]1(c2cc....
286	4BCW	-	TU0	C8 H7 Br O4 S	c1cc(c(cc1....
287	5AML	Ki = 0.7 nM	51J	C11 H12 N2 O6 S2	CC#CCNS(=O....
288	4Q7V	Ki = 260 uM	5MH	C6 H7 N O S	CC1=CN(C(=....
289	3RYX	Kd = 7.3 nM	RYX	C10 H9 F5 N2 O3 S	c1cc(ccc1C....
290	5EH5	Kd = 1.35 uM	XCZ	C5 H7 N3 O2 S	Cc1ccnc(n1....
291	1IF9	-	SBB	C19 H21 N3 O3 S	CC[C@H](CN....
292	5FNI	Kd = 330 uM	YIH	C8 H5 Cl2 N4 O	c1cc(c(cc1....
293	6RHJ	Ki = 2.3 nM	K4H	C19 H23 N3 O3 S	c1ccc(cc1)....
294	4RN4	Ki = 114 nM	3T7	C20 H24 N10 O7 S2	c1ccc(cc1)....
295	2H15	Ki = 2135 nM	B19	C12 H22 N2 O7 S	CC1(O[C@@H....
296	4Q8Z	-	4HO	C6 H7 N O2	CC1=CC(=O)....
297	3T82	Ki = 101 nM	SG4	C10 H17 N O10 S	CC(=O)O[C@....
298	1KWR	ic50 = 0.25 uM	SG2	C8 H8 N2 O3 S2	CN1c2ccc(c....
299	5THI	Ki = 245 uM	0TR	C7 H6 O2	C1=CC=C(C(....
300	1OQ5	ic50 = 21 nM	CEL	C17 H14 F3 N3 O2 S	Cc1ccc(cc1....
301	2HL4	Ki = 23 nM	BO1	C12 H18 N2 O7 S	c1cc(ccc1N....
302	2OSM	Ki = 1.05 uM	HTS	C6 H6 O S	c1ccc(c(c1....
303	3P58	Ki = 25.4 nM	P58	C9 H11 N S2	CN(Cc1cccc....
304	1G53	Kd = 0.91 nM	F6B	C14 H12 F2 N2 O3 S	c1cc(c(c(c....
305	5WG7	-	AUD	C4 H5 N O4 S	CC1=CC(=O)....
306	4MTY	-	SBW	C14 H14 N2 O4 S	c1cc(cc(c1....
307	6T4N	Kd = 14 uM	F1A	C9 H13 N O2 S	Cc1cc(c(c(....
308	3BL0	Ki = 121 nM	BL0	C5 H10 N4 O2 S2	CN(C)c1nnc....
309	2QOA	Ki = 52 nM	MAJ	C9 H11 N O2 S	c1cc2c(cc1....
310	3SAX	Kd = 0.14 uM	E50	C14 H14 Cl N3 O3 S2	CCc1cnc(nc....
311	4HEY	-	4MZ	C4 H6 N2	Cc1c[nH]cn....
312	1BCD	Kd = 2 nM	FMS	C H2 F3 N O2 S	C(F)(F)(F)....
313	5NEE	Ki = 0.02 nM	8V5	C12 H13 N3 O5 S2	c1cc(sc1c2....
314	5E2R	Ki = 86.2 nM	520	C19 H16 N2 O3 S	c1cc(ccc1c....
315	3RZ7	Kd = 1.1 nM	RZ7	C13 H9 F11 N2 O3 S	c1cc(ccc1C....
316	3MHL	Kd = 0.056 uM	J71	C12 H13 N5 O5 S	COc1c(c(nc....
317	7K6X	-	VZ1	C17 H22 N4 O5 S2	Cc1cc(cc(c....
318	2FNN	Ki = 200 mM	4MZ	C4 H6 N2	Cc1c[nH]cn....
319	3P5L	Ki = 40.8 nM	IT5	C13 H14 N2 S2	c1ccc(cc1)....
320	5E2S	Ki = 0.98 nM	5CX	C15 H17 N O2 S	CC(C)c1ccc....
321	4Q08	Kd = 500 nM	V90	C16 H23 F3 N2 O3 S2	C1CCCC(CCC....
322	2WD3	ic50 = 86 nM	MS4	C16 H12 Cl N5 O3 S	c1cc(c(cc1....
323	6RVF	Ki = 730 nM	KKH	C14 H14 B N2 O4	B1(c2cc(cc....
324	2POU	Ki = 38 nM	I7A	C6 H6 Cl2 N2 O4 S2	c1c(cc(c(c....
325	6G3Q	Ki = 57.9 nM	FO9	C8 H17 N7 O2 S3	C1C(=NC(=S....
326	6UGO	-	Q77	C9 H10 N2 O3 S	Cc1cc(c2c(....
327	4E3F	ic50 = 3 mM	GRE	C7 H6 O4	c1cc(c(c(c....
328	3NB5	Ki = 18 nM	R21	C16 H17 Cl N2 O4 S	c1cc(ccc1C....
329	6EBE	Ki = 0.2 uM	J3V	C14 H11 F3 N4 O6 S	c1cc(ccc1C....
330	5AMG	Ki = 6 nM	IW7	C12 H18 N2 O6 S2	CCCCCNS(=O....
331	2HOC	Ki = 0.3 nM	1CN	C8 H7 Cl F N5 O4 S3	c1c(cc(c(c....
332	1I9N	Kd = 2.2 nM	IOA	C14 H12 F2 N2 O3 S	c1cc(ccc1C....
333	6SAY	-	L3Q	C6 H10 N2 O2	C1CN2[C@@H....
334	6YQU	-	P92	C7 H5 N O S	c1ccc2c(c1....
335	3DD8	Ki = 14 nM	2C7	C16 H21 N O5 S2	c1cc2c(cc1....
336	4Q9Y	Ki = 2.1 uM	M3T	C7 H8 S	Cc1cccc(c1....
337	5FLP	Kd = 631 uM	6J5	C8 H7 Cl N4 O	c1ccc(c(c1....
338	2WEG	Kd = 314 nM	FBV	C6 H6 F N O2 S	c1ccc(c(c1....
339	3RZ0	Kd = 28 nM	RZ0	C11 H16 N2 O3 S	CCCCNC(=O)....
340	4ZWY	Ki = 10 nM	4SN	C19 H32 N2 O14 S2	CC(=O)OC[C....
341	1CNY	Kd = 14 nM	EG3	C22 H30 N4 O6 S	c1ccc(cc1)....
342	3MMF	Ki = 37 nM	D9H	C11 H13 Cl N6 O3 S	c1cc(ccc1N....
343	5TFX	Ki = 60.9 nM	7B1	C14 H11 N3 O4 S	c1ccc(cc1)....
344	4WW6	Kd = 0.062 nM	3TV	C9 H9 F4 N O2 S2	CCCSc1c(c(....
345	3SAP	Kd = 0.014 uM	E2I	C16 H19 N3 O3 S2	CCCCc1cnc(....
346	2FOV	Kd = 28 nM	B30	C13 H15 Cu N3 O7 S	c1cc(ccc1C....
347	2X7U	Ki = 5340 nM	WZA	C19 H27 N O5 S	C[C@]12CC[....
348	5JEG	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
349	2NNS	Kd = 0.9 uM	M25	C10 H14 N2 O3 S	CC(=O)NCCc....
350	4Q6E	Kd = 0.667 uM	KR5	C14 H18 N4 O3 S	Cc1cc(n(n1....
351	4JSZ	Ki = 5000 uM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
352	6RH4	-	4NZ	C6 H6 N2 O4 S	c1cc(ccc1[....
353	5FDI	Ki = 18.5 nM	5WM	C9 H10 N2 O4 S2	c1ccc2c(c1....
354	6YOL	-	P5T	C5 H8 B9 N O2 S	B123B45B16....
355	6WQ9	Ki = 72.5 nM	U7J	C32 H35 N3 O5 S	c1ccc(cc1)....
356	5GMN	Kd = 18.8 uM	949	C18 H16 F N O4 S	CC1(C(=O)C....
357	3FFP	Ki = 72.5 nM	LC1	C10 H8 N4 O2 S2	c1cc2c(cc1....
358	3R17	Ki = 390 nM	5UM	C12 H11 F N2 O3 S2	c1cc(sc1)C....
359	5SZ2	Ki = 2 nM	72G	C13 H11 N O3 S	c1cc(cc(c1....
360	2HD6	Ki = 16 nM	BOS	C13 H12 N2 O3 S2	c1ccc(c(c1....
361	2QO8	Ki = 3.4 nM	3CC	C17 H26 N2 O3 S	CCCC(CCC)C....
362	5FNJ	Kd = 5150 uM	YI6	C10 H12 O3	CCOc1ccc(c....
363	1I91	ic50 = 1.15 nM	INQ	C17 H19 N3 O6 S3	c1cc(cc(c1....
364	4YXI	Kd = 318.8 nM	4J8	C7 H9 N O2 S	Cc1ccc(cc1....
365	6YZP	-	Q3H	C8 H14 B9 N O2 S	B123B45B16....
366	6YZN	-	Q3Q	C6 H10 B10 N O2 S	B1234B567B....
367	6YZW	Ki = 821.2 nM	Q3K	C8 H14 B10 N O2 S	B1234B567B....
368	6VJ3	-	QYA	C12 H12 N4 O5 S	c1cc(ccc1N....
369	6UFD	Ki = 2.9 nM	Q6D	C15 H14 N2 O4 S2	CC(=O)/C(=....
370	1BN1	Kd = 0.46 nM	AL5	C12 H14 N2 O4 S3	Cc1ccc(cc1....
371	5JQT	Ki = 8180 nM	6M9	C7 H7 B O2	B1(c2ccccc....
372	1G48	Kd = 3.9 nM	F6B	C14 H12 F2 N2 O3 S	c1cc(c(c(c....
373	5SZ4	-	72D	C12 H11 N O2 S	c1ccc(cc1)....
374	1AM6	ic50 = 47 uM	HAE	C2 H5 N O2	CC(=O)NO
375	1OKL	Kd = 0.93 uM	MNS	C12 H14 N2 O2 S	CN(C)c1ccc....
376	3OY0	Ki = 10.1 nM	OY0	C15 H24 N2 O3 S	CCC[C@H](C....
377	2FOS	Kd = 27 nM	B17	C17 H23 Cu N3 O9 S	c1cc(ccc1C....
378	6RRG	-	FBU	C6 H5 F2 N O2 S	c1c(cc(cc1....
379	2EZ7	Kd = 43.5 uM	DHI	C6 H10 N3 O2	c1c([nH+]c....
380	6HX5	Ki = 2.2 uM	GXE	C6 H6 Se	c1ccc(cc1)....
381	3MZC	Ki = 226 nM	S6I	C12 H17 N3 O3 S	c1cc(ccc1N....
382	5A6H	Ki = 88 nM	OE2	C11 H14 Br N3 O5 S	c1cc(c(cc1....
383	1IF7	Kd = 30 pM	SBR	C19 H21 N3 O3 S	C[C@H](CNC....
384	7JO1	Ki = 2.1 nM	VFJ	C6 H10 N4 O3 S2	CCCC(=O)Nc....
385	3DCW	Ki < 1 nM	EZL	C9 H10 N2 O3 S2	CCOc1ccc2c....
386	6T81	Kd = 0.77 uM	MUE	C10 H9 N O2 S	c1ccc2cc(c....
387	5JGS	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
388	3C7P	ic50 = 0.1 nM	POF	C24 H27 N3 O5 S	C[C@]12CC[....
389	6MBV	-	NIO	C6 H5 N O2	c1cc(cnc1)....
390	5O07	Ki = 33.8 nM	1VQ	C6 H10 N4 O5 S	Cc1ncc(n1C....
391	5TH4	-	BEW	C5 H6 N O S	c1cc[n+](c....
392	6RIT	-	FBV	C6 H6 F N O2 S	c1ccc(c(c1....
393	6YZK	-	Q3N	C7 H12 B10 N O2 S	B1234B567B....
394	3DAZ	Ki = 11.8 nM	MZM	C5 H8 N4 O3 S2	CC(=O)/N=C....
395	4PQ7	Ki = 9.5 nM	IL3	C11 H14 N2 O3 S	CC#CCOc1cc....
396	6SDS	Ki = 37.9 nM	L8N	C12 H12 N O5 P S	c1ccc(cc1)....
397	6RNP	-	KBB	C6 H5 F2 N O2 S	c1cc(c(cc1....
398	5L3O	-	QUJ QUK 6H0 QVS QVE	n/a	n/a
399	1G54	Kd = 1.5 nM	FFB	C14 H9 F5 N2 O3 S	c1cc(ccc1C....
400	4Z1K	Ki = 4.7 nM	4KB	C16 H16 N2 O5 S	c1cc(ccc1C....
401	4JSS	Ki = 500 uM	BEW	C5 H6 N O S	c1cc[n+](c....
402	2Q38	Ki = 5950 nM	LSA	C7 H5 N O3 S	c1ccc2c(c1....
403	3HS4	Ki = 10 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
404	6YO7	-	P7Z	C8 H16 B10 N2 O4 S2	B1234B567B....
405	4BF6	Ki = 4.5 nM	X0Q	C13 H9 N5 O2 S2	c1cc(cc(c1....
406	2HKK	Ka = 96 M^-1	ALE	C9 H13 N O3	CNC[C@@H](....
407	6SB7	-	8K2	C4 H4 Cl N O2 S2	c1cc(sc1S(....
408	7K6U	-	VYY	C16 H20 N4 O5 S2	Cc1ccc(cc1....
409	2NNG	Kd = 4.4 uM	ZYX	C8 H12 N2 O2 S	c1cc(ccc1C....
410	3F8E	Ki = 59 nM	TE1	C15 H20 O5	CC(C)C[C@@....
411	5NYA	Ki = 415.6 nM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
412	5FLO	Kd = 709 uM	J4K	C8 H7 Cl N4 O	c1cc(ccc1O....
413	3DD0	Ki < 1 nM	EZL	C9 H10 N2 O3 S2	CCOc1ccc2c....
414	3ML2	Ki = 9.1 nM	SU0	C18 H16 N2 O6 S	COc1ccc2c(....
415	6RL9	-	SAN	C6 H8 N2 O2 S	c1cc(ccc1N....
416	4M2R	Ki = 3.2 nM	BZ1	C12 H21 N3 O5 S3	CCN[C@H]1C....
417	4JSA	Ki = 11 uM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
418	3CYU	Kd = 60 nM	0CR	C74 H74 N10 O18 S	COc1cc2c3c....
419	6EEA	Ki = 0.2 uM	J3V	C14 H11 F3 N4 O6 S	c1cc(ccc1C....
420	1IF4	-	FBS	C6 H6 F N O2 S	c1cc(ccc1F....
421	1BNW	Kd = 0.83 nM	TPD	C9 H10 N2 O4 S4	c1cc(sc1)C....
422	2EU3	-	FF3	C3 H4 F2 N4 O2 S2	c1(nnc(s1)....
423	2QP6	Ki = 208 nM	MB1	C6 H5 Cl N2 O4 S	c1cc(c(cc1....
424	6U4Q	Ki = 150.3 nM	PX7	C8 H8 N2 O3 S	CN1c2ccccc....
425	5JES	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
426	5JDV	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
427	4MDM	Ki = 6.79 uM	26E	C3 H5 B9 N2 O2 S	B123B45B16....
428	3RZ8	Kd = 6.7 nM	RZ8	C13 H20 N2 O3 S	CCCCCCNC(=....
429	3EFT	Ki = 12 nM	3BS	C16 H25 Cl N4 O3 S2	CC1(CC(CC(....
430	5U0D	Kd = 28.6 uM	7R7	C11 H11 N O4 S	COc1ccc(c(....
431	6YOK	-	P82	C8 H16 B10 N2 O4 S2	B1234B567B....
432	1CIN	Ki = 1.88 nM	MTS	C9 H14 N2 O4 S3	C[C@H]1C[C....
433	6ECZ	Ki = 0.27 uM	J4D	C13 H6 F5 N4 O8 S	c1c(cc(c(c....
434	6RG4	Ki = 5.4 nM	K45	C19 H23 N3 O3 S	CN1CCN(C[C....
435	4MLX	Ki = 0.65 mM	TM7	C6 H6 O2 S	CC1=CC(=S)....
436	2FMZ	Ki = 35 nM	DPN	C9 H11 N O2	c1ccc(cc1)....
437	5SZ6	-	72G	C13 H11 N O3 S	c1cc(cc(c1....
438	3IEO	Ki = 331 nM	AMJ	C13 H18 N2 O3	CC(=O)N[C@....
439	3F4X	Ki = 138 nM	KLT	C14 H11 Cl N2 O4 S	c1ccc2c(c1....
440	6YZU	Ki = 299.4 nM	Q4B	C7 H12 B9 N O2 S	B123B45B16....
441	3T5U	Ki = 5.47 uM	A09	C6 H7 N O3 S	c1ccc(cc1)....
442	1BNU	Kd = 0.2 nM	AL3	C11 H12 N2 O5 S4	c1cc(sc1)C....
443	1OKN	Kd = 2.3 nM	STB	C12 H19 N3 O3 S2	c1cc(ccc1C....
444	7JO0	Ki = 12.8 nM	VFG	C5 H8 N4 O3 S2	CCC(=O)Nc1....
445	3DBU	Ki = 8.8 nM	D8W	C8 H8 N4 O4 S3	c1ccc(cc1)....
446	7K6L	Ki = 458.3 nM	VZD	C15 H17 F N4 O5 S2	c1cc(ccc1N....
447	4MO8	Ki = 10.1 nM	2VQ	C6 H11 N5 O4 S	Cc1ncc(n1C....
448	1I9P	Kd = 3.9 nM	IOE	C14 H11 F3 N2 O3 S	c1cc(ccc1C....
449	6B59	Ki = 8.2 nM	CQS	C15 H17 N7 O3 S	c1cc(ccc1C....
450	3N2P	Ki = 15 nM	AYX	C13 H12 N4 O5 S	c1cc(cc(c1....
451	6T4P	Kd = 2.9 uM	MHK	C10 H9 N O2 S	c1ccc2c(c1....
452	4QJM	Kd = 6.7 nM	V1F	C21 H19 F3 N2 O4 S2	c1ccc(cc1)....
453	3M40	Kd = 0.17 uM	J45	C10 H8 Cl N5 O4 S	c1cc(ccc1N....
454	5TY9	Kd = 6.1 uM	7QV	C11 H11 N O5	COc1ccc(c(....
455	5NXV	Ki = 3.5 nM	9E2	C12 H12 Cl N5 O5 S	Cc1c(c(nn1....
456	5NXO	Ki = 4.9 nM	9HK	C13 H12 N2 O4 S	c1cc(ccc1C....
457	2FOU	Kd = 80 nM	B22	C21 H22 Cu N4 O8 S	c1cc(cc(c1....
458	4QSA	Kd = 40 nM	EWW	C13 H12 Cl N3 O4 S2	CC1=CC(=O)....
459	5FNG	Kd = 1105 uM	YIE	C8 H6 Cl N4	c1cc(ccc1C....
460	6QFX	Kd = 20 nM	JR3	C24 H28 Cl Ir N4 O5 S	CC12C3([Ir....
461	4BF1	Ki = 2.4 nM	9FK	C16 H12 N4 O2 S2	c1ccc2c(c1....
462	6C7W	Ki = 3410 nM	LMS	C10 H14 N6 O6 S	c1nc(c2c(n....
463	4ZWI	-	62I	C13 H24 N2 O11 S2	CC(=O)OC[C....
464	1BN3	Kd = 0.13 nM	AL6	C13 H12 N2 O5 S3	COc1cccc(c....
465	4Q90	Ki = 7 mM	4H2	C6 H7 N S	CC1=CC(=S)....
466	5EHV	Kd = 826 uM	5ON	C18 H16 O5	c1cc(cc(c1....
467	4MDG	Ki = 0.7 uM	25X	C3 H5 B10 N2 O2 S	B1234B567B....
468	6YZR	Ki = 333 nM	Q3W	C6 H10 B9 N O2 S	B123B45B16....
469	5JQ0	-	6M4	C7 H8 B O3	[B-]1(c2cc....
470	6RS5	-	KGK	C7 H5 F4 N O2 S	Cc1c(c(c(c....
471	6UX1	ic50 = 6.6 mM	SAL	C7 H6 O3	c1ccc(c(c1....
472	3MNU	Ki = 48 nM	BON	C12 H19 B N2 O4 S	B1(OC(C(O1....
473	2ABE	Ki = 113 uM	HIS	C6 H10 N3 O2	c1c([nH+]c....
474	4HEW	-	2MZ	C4 H6 N2	Cc1[nH]ccn....
475	5G01	-	OE2	C11 H14 Br N3 O5 S	c1cc(c(cc1....
476	3RYY	Kd = 38 nM	RYY	C10 H14 N2 O3 S	CCCNC(=O)c....
477	5NXW	Ki = 57.4 nM	RA9	C10 H11 N5 O3 S3	c1cc(ccc1N....
478	6RQI	-	FBW	C6 H6 F N O2 S	c1cc(cc(c1....
479	3SBI	Kd = 0.017 uM	E90	C12 H11 N3 O3 S2	c1cnc(nc1)....
480	6YOI	-	P7H	C8 H16 B10 N2 O4 S2	B1234B567B....
481	5FNL	Kd = 826 uM	5ON	C18 H16 O5	c1cc(cc(c1....
482	3RZ1	Kd = 1.8 nM	RZ1	C12 H9 F9 N2 O3 S	c1cc(ccc1C....
483	4QSB	Kd = 1300 nM	EWY	C13 H13 N3 O4 S2	CC1=CC(=O)....
484	1YDB	Kd = 5.8 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
485	5EKJ	Kd = 1 uM	TG4	C14 H23 N3 O3 S	CCCCNCC(=O....
486	4Q7W	Ki = 2300 uM	6MH	C6 H7 N O S	CC1=CC=CC(....
487	2EU2	-	5DS	C5 H11 N5 O2 S2	CN(C)c1nnc....
488	4CQ0	-	SXS	C7 H6 N2 O3 S	c1cc2c(cc1....
489	1MOO	-	4MZ	C4 H6 N2	Cc1c[nH]cn....
490	7K6K	Ki = 474.5 nM	VZ1	C17 H22 N4 O5 S2	Cc1cc(cc(c....
491	3DC3	Ki = 4.9 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
492	3MNA	Ki = 41 nM	DWH	C12 H13 Cl N6 O4 S	COC(=O)CNc....
493	6UH0	Ki = 853.1 nM	PX7	C8 H8 N2 O3 S	CN1c2ccccc....
494	1CNW	Kd = 19 nM	EG1	C15 H24 N4 O6 S	c1cc(ccc1C....
495	7JNZ	Ki = 62.8 nM	VGV	C9 H14 N4 O3 S2	C1CCC(CC1)....
496	6UGP	Ki = 685.5 nM	Q7A	C7 H5 Cl N2 O3 S	c1cc2c(c(c....
497	4Z0Q	Ki = 6.8 nM	4K9	C16 H16 N2 O3 S	c1ccc2c(c1....
498	6ROE	-	FBT	C6 H5 F2 N O2 S	c1cc(c(c(c....
499	6YZV	Ki = 21 nM	Q2Z	C4 H6 B10 N O2 S	B1234B567B....
500	6YQT	-	P9E	C7 H6 N2 O3 S2	c1cc2c(cc1....
501	4LP6	-	Q4I	C68 H64 N12 O16 S	CC(C)COc1c....
502	5THJ	Ki = 1350 uM	0TR	C7 H6 O2	C1=CC=C(C(....
503	6YZM	-	Q4B	C7 H12 B9 N O2 S	B123B45B16....
504	2HNC	Ki = 60 nM	1SA	C2 H4 N4 O2 S2	c1(nnc(s1)....
505	6WQ7	Ki = 30.4 nM	U6V	C28 H35 F N4 O3 S	c1ccc(cc1)....
506	6RKN	-	FBS	C6 H6 F N O2 S	c1cc(ccc1F....
507	6OE1	Ki = 3.1 nM	M8V	C16 H20 N4 O5 S	c1cc(ccc1N....
508	6RHK	Ki = 0.6 nM	K4B	C17 H19 N3 O3 S	c1ccc(cc1)....
509	3S9T	Kd = 0.22 uM	E49	C14 H14 Cl N3 O3 S2	Cc1cc(nc(n....
510	4ILX	Ki = 233 nM	1EZ	C18 H24 N2 O3 S	c1cc(ccc1N....
511	5AMD	Ki = 2.8 nM	45I	C15 H16 N2 O6 S2	c1ccc(cc1)....
512	6R6F	-	EA3	C15 H21 Cl N2 O4 S2	c1c(c(cc(c....
513	3P4V	Ki = 8 uM	PMX	C14 H14 Cl N O6	COC(=O)/C=....
514	7JOC	ic50 = 6.4 nM	ARZ	C13 H18 N4 O3 S2	C1C2CC3CC1....
515	3IBI	Ki = 2.6 nM	BOW	C8 H19 N O3 S	CCCCCCCCOS....
516	5JEH	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
517	2H4N	Kd = 0.002 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
518	6EQU	Ki = 419 nM	BVE	C31 H27 N2 O2 S	c1ccc(cc1)....
519	5TY1	Kd = 3.5 uM	7QV	C11 H11 N O5	COc1ccc(c(....
520	7K6I	Ki = 444.5 nM	VYV	C15 H18 N4 O5 S2	c1ccc(cc1)....
521	6RRI	-	KFH	C6 H3 F4 N O2 S	c1c(c(c(c(....
522	5FNM	Kd = 791 uM	5O6	C11 H12 O3	C/C(=CC(=O....
523	1ZSB	Kd = 250 mM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
524	6E8X	Ki = 0.07 uM	J0A	C19 H22 N2 O7 S2	C[C@]12C=C....
525	3OYQ	Ki = 10.3 nM	OYQ	C13 H20 N2 O3 S	CC[C@H](C)....
526	3T85	Ki = 11.3 nM	SG7	C10 H17 N O10 S	CC(=O)O[C@....
527	1IF5	-	FBT	C6 H5 F2 N O2 S	c1cc(c(c(c....
528	3IBN	Ki = 24.5 nM	O60	C10 H24 N2 O6 S2	C(CCCCCOS(....
529	4KAP	-	1QV	C7 H2 F4 N2 O2 S2	c12c(c(c(c....
530	5E28	Ki = 12.3 nM	BC5	C12 H12 N2 O2 S	c1cc(ccc1c....
531	5WGP	-	AUD	C4 H5 N O4 S	CC1=CC(=O)....
532	5LVS	-	QUJ QUK 6H0 QVS QVE	n/a	n/a
533	5SZ1	Ki = 1.2 nM	72E	C13 H13 N O2 S	Cc1ccccc1c....
534	1I90	ic50 = 1.28 nM	INM	C10 H15 N3 O5 S3	COCCC[N@]1....
535	6D1M	Ki = 6.3 nM	FQY	C12 H17 N O2 S Se	c1cc(ccc1S....
536	5NY1	Ki = 366.7 nM	9E5	C19 H20 N2 O4 S	Cc1ccc2c(c....
537	4IWZ	Ki = 51 nM	1GO	C8 H8 N4 O3 S3	c1cc(sc1)C....
538	4E3H	Ki = 90 nM	HQE	C6 H6 O2	c1cc(ccc1O....
539	1I8Z	ic50 = 1.27 nM	INL	C18 H21 N3 O6 S3	COc1cccc(c....
540	6E92	Ki = 0.002 uM	HZY	C19 H21 N2 O6 S	COc1cc(cc(....
541	2F14	Kd = 0.64 nM	FL1	C29 H23 N3 O7 S2	c1cc(ccc1C....
542	6UFC	Ki = 0.45 nM	Q6A	C18 H18 N2 O5 S	CC(=O)/C(=....
543	3R16	Ki = 50 nM	5UN	C12 H12 N2 O3 S2	c1cc(sc1)C....
544	6EEH	Ki = 0.29 uM	J4D	C13 H6 F5 N4 O8 S	c1c(cc(c(c....
545	1CIL	Ki = 0.372 nM	ETS	C10 H16 N2 O4 S3	CCN[C@H]1C....
546	5WLV	Ki = 3 nM	42G	C21 H29 N3 O5 S	CC(C)NC[C@....
547	4ZX0	-	5L2	C14 H24 N2 O13 S2	CC(=O)OC[C....
548	6WQ8	Ki = 2.4 nM	U77	C26 H31 N3 O6 S	c1ccc(cc1)....
549	3MHI	Kd = 0.2 uM	J90	C11 H11 N5 O5 S	c1cc(ccc1C....
550	3DCC	Ki = 1.1 nM	D9Z	C8 H6 Cl N3 O2 S2	c1ccc(c(c1....
551	6UZU	Ki = 7 nM	6LU	C15 H17 N3 O3 S	Cc1cc(cc(c....
552	4KNI	Kd = 16.7 nM	E1E	C14 H14 Cl N3 O3 S2	Cc1cc(nc(n....
553	3IGP	Ki = 32.8 nM	DT7	C11 H16 N2 O4 S	COc1cc2c(c....
554	3RYJ	Kd = 16 nM	RYJ	C9 H9 F3 N2 O3 S	c1cc(ccc1C....
555	2FOQ	Kd = 235 nM	B15	C20 H21 Cu N3 O7 S	c1cc(ccc1C....
556	4ZWX	Ki = 2 nM	5KZ	C19 H32 N2 O14 S2	CC(=O)OC[C....
557	6T4O	Kd = 18 uM	MJ2	C8 H11 N O2 S	Cc1cc(cc(c....
558	5N0D	Ki = 3.3 nM	8F2	C22 H20 N2 O5 S	c1ccc(cc1)....
559	4Q83	Ki = 64 uM	3FH	C6 H4 F3 N O S	C1=CN(C(=S....
560	7JO3	Ki = 8.2 nM	VGS	C7 H12 N4 O3 S2	CC(C)(C)C(....
561	4QJX	Kd = 52 nM	WWO	C15 H15 F3 N2 O5 S2	c1ccc(cc1)....
562	4HU1	Kd = 29 nM	V13	C8 H7 F4 N O5 S2	C(CS(=O)(=....
563	6G5U	Kd = 6.3 nM	ENN	C11 H14 Cl2 N2 O3 S	CCCCNC(=O)....
564	4KNN	Kd = 16.7 nM	E1F	C12 H10 Cl N3 O3 S2	c1cnc(nc1)....
565	4KNM	Kd = 10 nM	E1E	C14 H14 Cl N3 O3 S2	Cc1cc(nc(n....
566	4QIZ	Kd = 7.1 nM	WWX	C22 H21 F3 N2 O6 S2	c1ccc(cc1)....
567	5E2N	Kd = 0.29 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
568	3CZV	Ki = 16 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
569	4QJP	Kd = 2.5 nM	V1F	C21 H19 F3 N2 O4 S2	c1ccc(cc1)....
570	4QSJ	Kd = 5 nM	EWW	C13 H12 Cl N3 O4 S2	CC1=CC(=O)....
571	4COQ	-	SAN	C6 H8 N2 O2 S	c1cc(ccc1N....
572	4UOV	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
573	5TT3	Ki = 193 nM	EZL	C9 H10 N2 O3 S2	CCOc1ccc2c....
574	5TUO	Ki = 323 nM	1SA	C2 H4 N4 O2 S2	c1(nnc(s1)....
575	6Y00	Ki = 653.8 nM	O5T	C16 H19 Br N4 O4 S	c1cc(cc(c1....
576	6EVR	Ki = 8.8 nM	BZW	C20 H23 N3 O4 S	CC(=O)N1CC....
577	2NMX	Kd = 2.7 uM	M25	C10 H14 N2 O3 S	CC(=O)NCCc....
578	6HWZ	Ki = 6.7 uM	GXE	C6 H6 Se	c1ccc(cc1)....
579	6FAF	Ki = 306.1 nM	D3B	C15 H17 N3 O4 S	Cc1ccc(c(c....
580	1BZM	-	MZM	C5 H8 N4 O3 S2	CC(=O)/N=C....
581	2FW4	Kd = 30 nM	HIS	C6 H10 N3 O2	c1c([nH+]c....
582	6F3B	Ki = 273.3 nM	CJK	C15 H17 N3 O4 S	Cc1ccc(cc1....
583	3LXE	Ki = 250 nM	TOR	C12 H21 N O8 S	CC1(O[C@@H....
584	6XZS	Ki = 724.7 nM	O5K	C16 H19 F N4 O3 S	c1cc(ccc1C....
585	2IT4	Ki = 24.1 mM	PPF	C H3 O5 P	C(=O)(O)P(....
586	2NN7	Kd = 0.3 uM	M29	C11 H15 N O4 S	CCOC(=O)CC....
587	5E2M	Kd = 59 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
588	4WR7	Kd = 0.002 nM	3TV	C9 H9 F4 N O2 S2	CCCSc1c(c(....
589	6XZY	Ki = 728 nM	O5N	C16 H19 F N4 O3 S	c1ccc(c(c1....
590	6G3V	Ki = 922.4 nM	FO9	C8 H17 N7 O2 S3	C1C(=NC(=S....
591	6XZO	Ki = 138.4 nM	O55	C16 H19 Br N4 O4 S	c1cc(ccc1N....
592	4WUQ	-	3UG	C11 H12 F4 N2 O2 S	C1CCN(CC1)....
593	6XZX	Ki = 928.3 nM	O5H	C16 H20 N4 O3 S	c1ccc(cc1)....
594	6XZE	Ki = 24.6 nM	O4Z	C16 H19 F N4 O3 S	c1ccc(c(c1....
595	1CZM	-	AAS	C8 H10 Hg N2 O4 S	CC(=O)O[Hg....
596	2NN1	Kd = 1.5 uM	M28	C9 H11 N O4 S	c1cc(ccc1C....
597	4WUP	Kd = 0.15 nM	3UF	C8 H11 N O3 S2	c1cc(ccc1S....
598	2FOY	Kd = 120 nM	B30	C13 H15 Cu N3 O7 S	c1cc(ccc1C....
599	5GMM	Kd = 29.1 uM	949	C18 H16 F N O4 S	CC1(C(=O)C....
600	1AZM	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
601	6EX1	Ki = 49.4 nM	N19	C18 H21 N3 O3 S	c1ccc(cc1)....
602	4X5S	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
603	4QJ0	Kd = 48 nM	WWX	C22 H21 F3 N2 O6 S2	c1ccc(cc1)....
604	6T5P	Kd = 5.9 uM	VD8	C14 H23 N O2 S	CC(C)(C)c1....
605	4QJO	Kd = 40 nM	V1F	C21 H19 F3 N2 O4 S2	c1ccc(cc1)....
606	4KP8	Kd = 3330 nM	E1G	C12 H11 N3 O3 S2	c1cc(cc(c1....
607	4KP5	Kd = 833 nM	E1F	C12 H10 Cl N3 O3 S2	c1cnc(nc1)....
608	6R71	Kd = 0.12 nM	JTW	C15 H15 Cl N2 O6 S2	c1ccc(cc1)....
609	6G7A	Kd = 0.041 nM	EOQ	C16 H18 Cl N3 O4 S	c1ccc(cc1)....
610	1JD0	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
611	4QJW	Kd = 16 nM	WWO	C15 H15 F3 N2 O5 S2	c1ccc(cc1)....
612	4HT2	Kd = 290 nM	V50	C12 H9 F4 N3 O2 S2	Cc1cc(nc(n....
613	5MSB	Kd = 35 nM	V13	C8 H7 F4 N O5 S2	C(CS(=O)(=....
614	6R6Y	Kd = 0.008 nM	EA3	C15 H21 Cl N2 O4 S2	c1c(c(cc(c....
615	4WW8	Kd = 0.067 nM	VD9	C9 H13 N O2 S2	CCCSc1ccc(....
616	6G5L	Kd = 0.019 nM	EM5	C15 H22 Cl N3 O4 S	c1c(c(cc(c....
617	4Q0L	Kd = 20 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
618	6T5Q	Kd = 0.83 uM	MKQ	C18 H15 N O2 S	c1ccc(cc1)....
619	6H36	Ki = 0.45 nM	FKE	C18 H20 N2 O3 S	c1ccc(cc1)....
620	6H37	Ki = 2.6 nM	FKQ	C18 H20 N2 O4 S	c1ccc(cc1)....
621	6H38	Ki = 7.8 nM	FKK	C18 H20 F N3 O3 S	c1cc(ccc1C....
622	3ML5	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
623	6SDT	Ki = 16.1 nM	L8N	C12 H12 N O5 P S	c1ccc(cc1)....
624	6G9U	Kd = 0.2 nM	ETK	C23 H27 F3 N2 O4 S2	c1cc(ccc1C....
625	6G98	Kd = 0.16 nM	ER5	C27 H35 F3 N2 O4 S2	c1cc(ccc1C....
626	5FL6	Ki = 43.6 nM	Y0R	C13 H12 N4 O2 S2	Cc1ccc(cc1....
627	6FE0	Kd = 1.1 nM	V90	C16 H23 F3 N2 O3 S2	C1CCCC(CCC....
628	5FL4	Ki = 101 nM	9FK	C16 H12 N4 O2 S2	c1ccc2c(c1....
629	3IAI	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
630	6FE1	Kd = 0.05 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
631	5FL5	Ki = 6.4 nM	82E	C13 H12 N4 O3 S2	COc1ccc(cc....
632	1FLJ	-	GSH	C10 H17 N3 O6 S	C(CC(=O)N[....
633	1DMY	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
634	3F7B	ic50 = 64 nM	AG5	C20 H19 N3 O3 S2	c1ccc(cc1)....
635	4LU3	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
636	5CJF	Ki = 0.26 nM	520	C19 H16 N2 O3 S	c1cc(ccc1c....
637	6IM3	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
638	4G7A	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: FKE; Similar ligands found: 9

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	FKE	1	1
2	O42	0.589286	0.95082
3	FKQ	0.5	0.855072
4	K4H	0.452055	0.890625
5	K4B	0.430556	0.823529
6	BZW	0.423077	0.863636
7	N19	0.421053	0.863636
8	K45	0.421053	0.850746
9	4KC	0.42029	0.934426

Similar Ligands (3D)

Ligand no: 1; Ligand: FKE; Similar ligands found: 8

No:	Ligand	Similarity coefficient
1	1GD	0.8821
2	WDX	0.8685
3	CP8	0.8659
4	BZ0	0.8631
5	1WQ	0.8593
6	4KB	0.8550
7	BAI	0.8537
8	IOE	0.8521

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

Pocket No.: 1; Query (leader) PDB : 6H36; Ligand: FKE; Similar sites found with APoc: 1

This union binding pocket(no: 1) in the query (biounit: 6h36.bio1) has 24 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	4TWL	ASC	46.3415

APoc FAQ