Showing PDB: 1BZM

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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
1BZM	2 Å	EC: 4.2.1.1	DRUG-PROTEIN INTERACTIONS: STRUCTURE OF SULFONAMIDE DRUG COM WITH HUMAN CARBONIC ANHYDRASE I	HOMO SAPIENS	PROTEIN-DRUG INTERACTIONS OXO-ACID LYASE SULFONAMIDES LYAACID)
Ref.:	DRUG-PROTEIN INTERACTIONS. REFINED STRUCTURES OF TH SULFONAMIDE DRUG COMPLEXES OF HUMAN CARBONIC ANHYDR ENZYME. J.MOL.BIOL. V. 243 298 1994

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
MZM	A:262;	Valid;	none;	submit data		236.272	C5 H8 N4 O3 S2	CC(=O...
ZN	A:261;	Part of Protein;	none;	submit data		65.409	Zn	[Zn+2...

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90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4WUP	1.75 Å	EC: 4.2.1.1	CRYSTAL STRUCTURE OF HUMAN CARBONIC ANHYDRASE ISOZYME I WITH HYDROXYETHYL)THIO]BENZENESULFONAMIDE	HOMO SAPIENS	DRUG DESIGN LYASE BENZENESULFONAMIDE METAL-BINDING LYASEINHIBITOR COMPLEX
Ref.:	INTRINSIC THERMODYNAMICS OF 4-SUBSTITUTED-2,3,5,6-TETRAFLUOROBENZENESULFONAMIDE TO CARBONIC ANHYDRASES BY ISOTHERMAL TITRATION CALO BIOPHYS.CHEM. V. 205 51 2015

Members (15)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 16 families.
1	2NMX	Kd = 2.7 uM	M25	C10 H14 N2 O3 S	CC(=O)NCCc....
2	1BZM	-	MZM	C5 H8 N4 O3 S2	CC(=O)/N=C....
3	2FW4	Kd = 30 nM	HIS	C6 H10 N3 O2	c1c([nH+]c....
4	3LXE	Ki = 250 nM	TOR	C12 H21 N O8 S	CC1(O[C@@H....
5	2IT4	Ki = 24.1 mM	PPF	C H3 O5 P	C(=O)(O)P(....
6	2NN7	Kd = 0.3 uM	M29	C11 H15 N O4 S	CCOC(=O)CC....
7	5E2M	Kd = 59 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
8	4WR7	Kd = 0.002 uM	3TV	C9 H9 F4 N O2 S2	CCCSc1c(c(....
9	4WUQ	-	3UG	C11 H12 F4 N2 O2 S	C1CCN(CC1)....
10	1CZM	-	AAS	C8 H10 Hg N2 O4 S	CC(=O)O[Hg....
11	2NN1	Kd = 1.5 uM	M28	C9 H11 N O4 S	c1cc(ccc1C....
12	4WUP	Kd = 0.15 nM	3UF	C8 H11 N O3 S2	c1cc(ccc1S....
13	2FOY	Kd = 120 nM	B30	C13 H15 Cu N3 O7 S	c1cc(ccc1C....
14	5GMM	Kd = 29.1 uM	949	C18 H16 F N O4 S	CC1(C(=O)C....
15	1AZM	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....

70% Homology Family (412)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 11 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	1I9L	Kd = 3.3 nM	INV	C14 H13 F N2 O3 S	c1cc(ccc1C....
7	3VBD	Ki = 8.6 nM	0FZ	C16 H16 N2 O3 S	COc1ccc2c(....
8	3M5E	Kd = 0.043 uM	JDR	C13 H13 Cl N4 O3 S2	CSc1nc(c(c....
9	3P5A	Ki = 0.95 nM	IT2	C5 H9 N O S2	C1COCCN1C(....
10	2AW1	Ki = 43 nM	COX	C16 H14 N2 O3 S	Cc1c(c(no1....
11	4M2W	-	ETS	C10 H16 N2 O4 S3	CCN[C@H]1C....
12	5J8Z	Ki = 5 nM	FC4	C20 H16 Cl N5 O4 S2	C[C@H](C(=....
13	4QTL	Kd = 120 nM	WWO	C15 H15 F3 N2 O5 S2	c1ccc(cc1)....
14	5BYI	Ki = 30.7 nM	4WA	C12 H12 N4 O2 S	c1cc(ccc1N....
15	4PYX	Kd = 910 nM	V90	C16 H23 F3 N2 O3 S2	C1CCCC(CCC....
16	5FLT	Kd = 1280 uM	VJJ	C13 H10 O3	c1ccc(cc1)....
17	4RIV	-	LSA	C7 H5 N O3 S	c1ccc2c(c1....
18	5EKM	Kd = 0.48 uM	TG5	C12 H19 N3 O3 S	CCCCNCC(=O....
19	3MHC	Ki = 11 nM	ARZ	C13 H18 N4 O3 S2	C1C2CC3CC1....
20	5L6K	-	QUK QVS 6H0 QUJ QVE	n/a	n/a
21	3M96	Kd = 0.06 uM	E38	C15 H11 Br Cl N3 O3 S2	c1cc(c(cc1....
22	4ITP	Ki = 54 nM	1GD	C15 H16 N2 O3 S	c1ccc(cc1)....
23	2GD8	ic50 = 379 nM	PO1	C19 H28 N2 O7 S2	C[C@]12CC[....
24	5G03	-	OE2	C11 H14 Br N3 O5 S	c1cc(c(cc1....
25	4QSI	Kd = 50 nM	EWZ	C16 H18 Cl N3 O4 S2	CC(C)(C)C1....
26	1BNV	Kd = 1.7 nM	AL7	C14 H17 N3 O5 S3	CN[C@@H]1C....
27	1I9Q	Kd = 3.9 nM	IOF	C14 H11 F3 N2 O3 S	c1cc(ccc1C....
28	2Q1Q	Ki = 7 nM	OSP	C10 H14 N2 O4 S2	c1cc(ccc1N....
29	5LJT	Ki = 1.2 nM	A6N	C15 H16 N4 O3 S	c1ccc(cc1)....
30	1G0E	-	4MZ	C4 H6 N2	Cc1c[nH]cn....
31	4QIY	Kd = 50 nM	WWX	C22 H21 F3 N2 O6 S2	c1ccc(cc1)....
32	2OSF	ic50 ~ 148 uM	TH0	C6 H6 O2 S	c1cc(c(cc1....
33	5BRV	Kd = 0.96 nM	9TH	C28 H31 Cl Ir N3 O4 S2	C[C-]12C3(....
34	5U0E	Kd = 7.7 uM	7R4	C10 H9 N O S2	c1ccc(cc1)....
35	4PYY	Kd = 29 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
36	1G45	Kd = 2.3 nM	FSB	C14 H13 F N2 O3 S	c1ccc(c(c1....
37	5FNK	Kd = 1005 uM	5OO	C9 H6 Cl2 O2	c1cc(c(cc1....
38	2NNO	Kd = 0.4 uM	M28	C9 H11 N O4 S	c1cc(ccc1C....
39	4Q81	Ki = 950 uM	7MH	C7 H9 N O S	CC1=CC(=S)....
40	3CA2	-	AMS	C6 H7 Hg N2 O2 S	c1cc(c(cc1....
41	4Q7P	Ki = 48 uM	3MH	C6 H7 N O S	CC1=CC=CN(....
42	4YYT	Kd = 428.6 nM	S2O	C8 H11 N O3 S	c1cc(ccc1C....
43	5E2K	Ki = 9.3 nM	BX4	C12 H12 N2 O2 S	c1cc(cc(c1....
44	3M2N	-	J74	C12 H12 Cl N5 O4 S	c1cc(ccc1C....
45	3OYS	Ki = 9 nM	OYS	C14 H14 N2 O3 S	c1ccc(cc1)....
46	3RYZ	Kd = 2.4 nM	RYZ	C11 H9 F7 N2 O3 S	c1cc(ccc1C....
47	4M2V	-	BZ1	C12 H21 N3 O5 S3	CCN[C@H]1C....
48	3S8X	Kd = 0.07 uM	E59	C13 H13 N3 O4 S2	CC1=CC(=O)....
49	5U0G	-	7QY	C12 H13 N O4 S	COc1ccc(c(....
50	3K7K	Kd ~ 8.86 nM	KCS	C H2 S3	C(=S)(S)S
51	3T83	Ki = 105 nM	MG5	C15 H25 N O11 S	CCC(=O)O[C....
52	3BL1	Ki = 2520 nM	BL1	C16 H16 Cl N3 O3 S	C[C@H]1Cc2....
53	5EH7	Kd = 330 uM	5O5	C8 H6 Cl2 N4 O	c1cc(c(cc1....
54	4RUY	Ki = 12.8 nM	3W6	C9 H13 N O3 S	CCCOc1ccc(....
55	3MHO	Kd = 0.32 uM	J43	C12 H11 Cl N4 O3 S2	CSc1nc(c(c....
56	4YX4	Kd = 1135.3 nM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
57	4N16	ic50 = 0.22 mM	CHD	C24 H40 O5	C[C@H](CCC....
58	3K2F	Ki = 63 nM	NKX	C14 H20 N4 O12 S3	CCN([C@H]1....
59	2WEO	Kd = 118 nM	FBW	C6 H6 F N O2 S	c1cc(cc(c1....
60	3PO6	-	DT9	C12 H18 N2 O4 S	C[C@H]1c2c....
61	3V7X	Ki = 2.7 nM	D7A	C17 H20 N2 O5 S	COc1ccc(cc....
62	3IBU	Ki = 0.7 nM	O48	C10 H23 N O3 S	CCCCCCCCCC....
63	1BNT	Kd = 0.16 nM	AL2	C13 H14 N2 O6 S3	COc1ccc(cc....
64	4YXU	Kd = 60.6 nM	4JE	C9 H13 N O2 S	CCCc1ccc(c....
65	4Q09	Kd = 6.7 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
66	5FLS	Kd = 905 uM	6ZX	C10 H9 Cl O2	C/C(=CC(=O....
67	3DCS	Ki = 11.4 nM	MZM	C5 H8 N4 O3 S2	CC(=O)/N=C....
68	5TYA	Kd = 32.9 uM	7QS	C9 H7 N O2 S	c1ccc(cc1)....
69	3RYV	Kd = 86 nM	RYV	C9 H12 N2 O3 S	CCNC(=O)c1....
70	2WEJ	Kd = 839 nM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
71	3MYQ	Kd = 0.03 uM	E27	C18 H13 Cl N4 O3 S2	c1ccc2c(c1....
72	4ZWZ	-	510	C12 H22 N2 O12 S2	COC(=O)[C@....
73	4Q6D	Kd = 0.0435 uM	WW3	C12 H18 N4 O2 S	c1cc(ccc1/....
74	3V5G	Ki = 74 nM	0F3	C6 H9 N3 O4 S2	c1cc(ccc1N....
75	1EOU	ic50 = 36 nM	SMS	C9 H15 N O10 S2	CC1(O[C@H]....
76	4RFC	Ki = 5.7 nM	3O1	C15 H24 N2 O5 S	CC(C)(C)OC....
77	5VGY	Kd = 65.5 uM	9AA	C12 H14 N2 O4 S	COc1ccc(c(....
78	1BN4	Kd = 0.49 nM	AL9	C12 H14 N2 O5 S3	COc1ccc(cc....
79	1G4O	Kd = 5.6 nM	BSB	C14 H14 N2 O3 S	c1ccc(cc1)....
80	5SZ3	Ki = 2.5 nM	72H	C15 H12 N2 O2 S	c1ccc2c(c1....
81	4RUZ	-	3W8	C8 H11 N O3 S	CCOc1ccc(c....
82	3KIG	ic50 = 245 nM	DA4	C8 H7 N O2 S	C#Cc1cccc(....
83	5SZ5	-	72E	C13 H13 N O2 S	Cc1ccccc1c....
84	3EFI	-	TRP	C11 H12 N2 O2	c1ccc2c(c1....
85	3N0N	Ki = 50 nM	P9B	C13 H8 F5 N3 O3 S	c1cc(ccc1N....
86	4Q06	Kd = 15 nM	V90	C16 H23 F3 N2 O3 S2	C1CCCC(CCC....
87	2X7T	Ki = 232 nM	WZB	C20 H30 N2 O6 S2	CCc1cc2c(c....
88	4Z1J	Kd = 7.7 nM	4KC	C16 H16 N2 O3 S	c1ccc2c(c1....
89	5U0F	Kd = 3.4 uM	7R1	C12 H13 N O3 S2	COc1ccc(c(....
90	3T5Z	Ki = 8.96 uM	B09	C7 H9 N O3 S	CONS(=O)(=....
91	4FIK	-	TH0	C6 H6 O2 S	c1cc(c(cc1....
92	4E3D	Ki = 5 mM	GTQ	C7 H6 O4	c1cc(c(cc1....
93	1G46	Kd = 1.6 nM	F2B	C14 H12 F2 N2 O3 S	c1cc(c(c(c....
94	5JEP	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
95	3IBL	Ki = 14.6 nM	O59	C8 H20 N2 O6 S2	C(CCCCOS(=....
96	5CLU	Ki = 78 uM	S8A	C9 H7 N O5 S	c1ccc2c(c1....
97	5FLR	Kd = 1.35 uM	XCZ	C5 H7 N3 O2 S	Cc1ccnc(n1....
98	5EKH	Kd = 1.11 uM	5RD	C11 H18 N2 O2 S	CCCCNCc1cc....
99	5JG5	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
100	1IF6	-	FBU	C6 H5 F2 N O2 S	c1c(cc(cc1....
101	2O4Z	Ki = 566 nM	HSW	H4 N2 O3 S	NS(=O)(=O)....
102	3T84	Ki = 106 nM	SG6	C8 H15 N O9 S	CC(=O)O[C@....
103	4Q78	-	25X	C3 H5 B10 N2 O2 S	B1234B567B....
104	5EH8	Kd = 791 uM	5O6	C11 H12 O3	C/C(=CC(=O....
105	5JGT	-	EVI	C3 H4 N2 O2 S2	c1csc(n1)S....
106	2WD2	-	MS5	C18 H22 N2 O5 S	COc1cccc(c....
107	1CRA	-	TRI	C2 H3 N3	c1[nH]cnn1
108	4KNJ	Kd = 11.1 nM	E1F	C12 H10 Cl N3 O3 S2	c1cnc(nc1)....
109	1OKM	-	SAB	C11 H17 N3 O3 S	c1cc(ccc1C....
110	3RZ5	Kd = 13 nM	RZ5	C12 H18 N2 O3 S	CCCCCNC(=O....
111	4Q7S	Ki = 38 uM	2YU	C6 H7 N O S	CC1=CC(=S)....
112	3N4B	Ki = 96 nM	WWZ	C13 H12 F N3 O3 S	c1cc(ccc1N....
113	3M1K	Ki = 4.1 uM	BEW	C5 H6 N O S	c1cc[n+](c....
114	1CIM	Ki = 1.52 nM	PTS	C8 H12 N2 O4 S3	C[C@H]1C[C....
115	4MLT	Ki = 1.4 mM	TM4	C6 H6 O2 S	CC1=C(C(=S....
116	3HKN	Ki = 4.51 uM	MFS	C26 H37 N O19 S	CC(=O)OC[C....
117	4RFD	Ki = 8.9 nM	3O5	C10 H16 N2 O3 S	c1cc(ccc1O....
118	2GEH	Ki = 28 uM	NHY	C H4 N2 O2	C(=O)(N)NO
119	4ZX1	-	5L3	C13 H24 N2 O11 S2	CC(=O)O[C@....
120	4E49	Ki = 7.7 uM	RCO	C6 H6 O2	c1cc(cc(c1....
121	3M3X	Kd = 0.15 uM	JS7	C13 H15 N5 O5 S	COc1c(c(nc....
122	3B4F	Ki = 7.2 nM	TUO	C15 H14 N4 O3 S	c1ccc(cc1)....
123	5SZ0	Ki = 0.8 nM	72D	C12 H11 N O2 S	c1ccc(cc1)....
124	4E3G	Ki = 8 mM	PHB	C7 H6 O3	c1cc(ccc1C....
125	4M2U	Ki = 9.1 nM	ETS	C10 H16 N2 O4 S3	CCN[C@H]1C....
126	4MDL	Ki = 1.16 uM	25Y	C3 H5 B10 N2 O2 S	B1234B567B....
127	4R5B	Ki = 185 nM	3J4	C10 H20 N2 O10 S2	C1CN(C[C@@....
128	4Q99	Ki = 52 uM	HT4	C7 H8 O S	Cc1ccc(c(c....
129	5N0E	Ki = 3.6 nM	8F3	C22 H20 N2 O5 S	c1ccc(cc1)....
130	4Z1E	Ki = 5.7 nM	DF5	C17 H15 N2 O4 S	COc1ccc2c(....
131	1BNQ	Kd = 0.32 nM	AL4	C11 H19 N3 O5 S3	CCN[C@H]1C....
132	1XPZ	Kd = 84 nM	4TZ	C16 H14 N6 O3 S	c1cc(ccc1C....
133	4Z1N	Ki = 5.89 nM	4KD	C18 H20 N2 O5 S	COc1cc2c(c....
134	2NNV	Kd = 0.03 uM	M29	C11 H15 N O4 S	CCOC(=O)CC....
135	4Q8X	Ki = 270 uM	7FH	C6 H4 F3 N O S	C1=CC(=S)N....
136	4KV0	Ki = 12 nM	MB7	C13 H14 N4 O5 S2	Cc1ccc(cc1....
137	1G1D	Kd = 0.36 nM	FSB	C14 H13 F N2 O3 S	c1ccc(c(c1....
138	4R5A	Ki = 2 nM	3J4	C10 H20 N2 O10 S2	C1CN(C[C@@....
139	5SZ7	-	72H	C15 H12 N2 O2 S	c1ccc2c(c1....
140	4PZH	Kd < 10 nM	V13	C8 H7 F4 N O5 S2	C(CS(=O)(=....
141	4Q07	Kd < 5 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
142	3N3J	Ki = 3.3 nM	WWV	C16 H19 N3 O3 S	CC(C)c1ccc....
143	3CAJ	Ki = 8 nM	EZL	C9 H10 N2 O3 S2	CCOc1ccc2c....
144	5DOH	Kd = 32 nM	5DU	C17 H17 F3 N2 O3 S2	c1ccc2c(c1....
145	5TI0	Ki = 61 uM	7CZ	C7 H6 O S	C1=CC=C(C(....
146	4RIU	-	3QR	C16 H18 N4 O9 S	c1cc2c(cc1....
147	3NI5	Ki = 28 nM	C1H	C13 H15 N5 O9 S3	c1cc(cc(c1....
148	3SBH	Kd = 0.033 uM	E65	C14 H15 N3 O3 S2	Cc1cc(nc(n....
149	4QY3	Ki = 0.15 uM	3G1	C14 H12 O3 S	c1ccc(cc1)....
150	3D9Z	Ki = 2 nM	D9Z	C8 H6 Cl N3 O2 S2	c1ccc(c(c1....
151	4HEZ	-	1MZ	C4 H7 N2	Cn1cc[nH+]....
152	1G52	Kd = 0.29 nM	F2B	C14 H12 F2 N2 O3 S	c1cc(c(c(c....
153	5TY8	Kd = 3.5 uM	7Q1	C9 H7 N O3	c1ccc(cc1)....
154	4Q87	Ki = 14 uM	4FH	C6 H4 F3 N O S	C1=CN(C(=S....
155	1I9O	Kd = 3.8 nM	IOC	C14 H11 F3 N2 O3 S	c1cc(ccc1C....
156	5FLQ	Kd = 1080 uM	IO2	C15 H14 O3	c1ccc(cc1)....
157	1YDD	Kd = 86 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
158	2POV	Ki = 75 nM	I7B	C6 H8 Cl N3 O4 S2	c1c(c(cc(c....
159	1G4J	Kd = 2 nM	FFB	C14 H9 F5 N2 O3 S	c1cc(ccc1C....
160	3D8W	Ki = 7 nM	D8W	C8 H8 N4 O4 S3	c1ccc(cc1)....
161	5FNH	-	YIP	C8 H6 Cl N4 O	c1cc(cc(c1....
162	2WEH	Kd = 1125 nM	FB1	C6 H6 Cl N O2 S	c1ccc(c(c1....
163	3M67	Kd = 0.18 uM	E36	C17 H14 Cl N3 O5 S2	c1cc(c(cc1....
164	1I9M	Kd = 3.3 nM	INW	C14 H12 F2 N2 O3 S	c1cc(ccc1C....
165	5JE7	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
166	2X7S	Ki = 1660 nM	WZC	C19 H27 N O5 S	C[C@]12CC[....
167	5BRU	-	8TH	C30 H35 Cl Ir N3 O4 S2	CCCC12C3([....
168	2FMG	-	PHE	C9 H11 N O2	c1ccc(cc1)....
169	1TTM	Kd ~ 45 nM	667	C14 H15 N O5 S	c1cc2c(cc1....
170	3MHM	Kd = 0.1 uM	J75	C18 H18 N6 O4 S	c1ccc(cc1)....
171	2POW	Ki = 63 nM	I7C	C7 H8 F3 N3 O4 S2	c1c(c(cc(c....
172	5TXY	Kd = 3.5 uM	7Q1	C9 H7 N O3	c1ccc(cc1)....
173	1AVN	Kd = 0.125 mM	HSM	C5 H9 N3	c1c(nc[nH]....
174	5EHW	Kd = 1005 uM	5OO	C9 H6 Cl2 O2	c1cc(c(cc1....
175	1LUG	-	SUA	C13 H14 N2 O3 S3	c1cc(ccc1N....
176	5LJQ	Ki = 1 nM	ANV	C15 H16 N4 O3 S	c1ccc(cc1)....
177	4E4A	Ki = 9 mM	JKE	C7 H6 O2 S	c1ccc(c(c1....
178	1ZE8	Ki = 21 nM	PIU	C16 H21 N2 O2 S	Cc1cc([n+]....
179	1BNN	Kd = 0.1 nM	AL1	C13 H14 N2 O5 S3	COc1cccc(c....
180	4RUX	Ki = 12 nM	3W3	C9 H11 N O3 S	C=CCOc1ccc....
181	5BNL	-	2HC	C9 H8 O3	c1ccc(c(c1....
182	1XQ0	Kd = 454 nM	4TR	C16 H13 Br N6 O3 S	c1cc(ccc1C....
183	2Q1B	Ki = 5950 nM	LSA	C7 H5 N O3 S	c1ccc2c(c1....
184	4Q8Y	Ki = 2300 uM	HQT	C9 H7 N O S	c1ccc2c(c1....
185	5THN	Ki = 96 uM	7CZ	C7 H6 O S	C1=CC=C(C(....
186	4YXO	Kd = 125.4 nM	4JC	C8 H11 N O2 S	CCc1ccc(cc....
187	5DOG	-	5DT	C21 H19 F3 N2 O2 S2	c1ccc(cc1)....
188	3BET	ic50 = 1.5 uM	CTF	C21 H28 N2 O4 S	C[C@]12CC[....
189	4R59	Ki = 11 nM	3J3	C11 H22 N2 O10 S2	C1CN(CCC1O....
190	5DRS	Kd = 1.1 nM	5EF	C17 H17 F3 N2 O5 S2	c1ccc2c(c1....
191	5FDC	Ki = 34.8 nM	5WN	C9 H10 N2 O2 S2	c1ccc2c(c1....
192	1YDA	Kd = 280 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
193	1CNX	Kd = 43 nM	EG2	C13 H21 N3 O5 S	c1cc(ccc1C....
194	5LMD	-	RC4	C16 H18 B N2 O5	[B-]1(c2cc....
195	4BCW	-	TU0	C8 H7 Br O4 S	c1cc(c(cc1....
196	5AML	Ki = 0.7 nM	51J	C11 H12 N2 O6 S2	CC#CCNS(=O....
197	4Q7V	Ki = 260 uM	5MH	C6 H7 N O S	CC1=CN(C(=....
198	3RYX	Kd = 7.3 nM	RYX	C10 H9 F5 N2 O3 S	c1cc(ccc1C....
199	5EH5	Kd = 1.35 uM	XCZ	C5 H7 N3 O2 S	Cc1ccnc(n1....
200	1IF9	-	SBB	C19 H21 N3 O3 S	CC[C@H](CN....
201	5FNI	Kd = 330 uM	YIH	C8 H5 Cl2 N4 O	c1cc(c(cc1....
202	4RN4	Ki = 114 nM	3T7	C20 H24 N10 O7 S2	c1ccc(cc1)....
203	2H15	Ki = 2135 nM	B19	C12 H22 N2 O7 S	CC1(O[C@@H....
204	4Q8Z	-	4HO	C6 H7 N O2	CC1=CC(=O)....
205	3T82	Ki = 307 nM	SG4	C10 H17 N O10 S	CC(=O)O[C@....
206	1KWR	ic50 = 0.25 uM	SG2	C8 H8 N2 O3 S2	CN1c2ccc(c....
207	5THI	Ki = 245 uM	0TR	C7 H6 O2	C1=CC=C(C(....
208	1OQ5	ic50 = 21 nM	CEL	C17 H14 F3 N3 O2 S	Cc1ccc(cc1....
209	2HL4	Ki = 23 nM	BO1	C12 H18 N2 O7 S	c1cc(ccc1N....
210	2OSM	ic50 = 1.05 uM	HTS	C6 H6 O S	c1ccc(c(c1....
211	3P58	Ki = 25.4 nM	P58	C9 H11 N S2	CN(Cc1cccc....
212	1G53	Kd = 0.91 nM	F6B	C14 H12 F2 N2 O3 S	c1cc(c(c(c....
213	4MTY	-	SBW	C14 H14 N2 O4 S	c1cc(cc(c1....
214	3BL0	Ki = 121 nM	BL0	C5 H10 N4 O2 S2	CN(C)c1nnc....
215	2QOA	Ki = 52 nM	MAJ	C9 H11 N O2 S	c1cc2c(cc1....
216	3SAX	Kd = 0.14 uM	E50	C14 H14 Cl N3 O3 S2	CCc1cnc(nc....
217	4HEY	-	4MZ	C4 H6 N2	Cc1c[nH]cn....
218	1BCD	Kd = 2 nM	FMS	C H2 F3 N O2 S	C(F)(F)(F)....
219	5E2R	Ki = 86.2 nM	520	C19 H16 N2 O3 S	c1cc(ccc1c....
220	3RZ7	Kd = 1.1 nM	RZ7	C13 H9 F11 N2 O3 S	c1cc(ccc1C....
221	3MHL	Kd = 0.056 uM	J71	C12 H13 N5 O5 S	COc1c(c(nc....
222	2FNN	Ki = 200 mM	4MZ	C4 H6 N2	Cc1c[nH]cn....
223	3P5L	Ki = 40.8 nM	IT5	C13 H14 N2 S2	c1ccc(cc1)....
224	5E2S	Ki = 0.98 nM	5CX	C15 H17 N O2 S	CC(C)c1ccc....
225	4Q08	Kd = 500 nM	V90	C16 H23 F3 N2 O3 S2	C1CCCC(CCC....
226	2WD3	ic50 = 86 nM	MS4	C16 H12 Cl N5 O3 S	c1cc(c(cc1....
227	2POU	Ki = 38 nM	I7A	C6 H6 Cl2 N2 O4 S2	c1c(cc(c(c....
228	4E3F	Ki = 3 mM	GRE	C7 H6 O4	c1cc(c(c(c....
229	3NB5	Ki = 18 nM	R21	C16 H17 Cl N2 O4 S	c1cc(ccc1C....
230	5AMG	Ki = 6 nM	IW7	C12 H18 N2 O6 S2	CCCCCNS(=O....
231	2HOC	Ki = 0.3 nM	1CN	C8 H7 Cl F N5 O4 S3	c1c(cc(c(c....
232	1I9N	Kd = 2.2 nM	IOA	C14 H12 F2 N2 O3 S	c1cc(ccc1C....
233	3DD8	Ki = 14 nM	2C7	C16 H21 N O5 S2	c1cc2c(cc1....
234	4Q9Y	Ki = 2.1 uM	M3T	C7 H8 S	Cc1cccc(c1....
235	5FLP	Kd = 631 uM	6J5	C8 H7 Cl N4 O	c1ccc(c(c1....
236	2WEG	Kd = 314 nM	FBV	C6 H6 F N O2 S	c1ccc(c(c1....
237	3RZ0	Kd = 28 nM	RZ0	C11 H16 N2 O3 S	CCCCNC(=O)....
238	4ZWY	Ki = 10 nM	4SN	C19 H32 N2 O14 S2	CC(=O)OC[C....
239	1CNY	Kd = 14 nM	EG3	C22 H30 N4 O6 S	c1ccc(cc1)....
240	3MMF	Ki = 37 nM	D9H	C11 H13 Cl N6 O3 S	c1cc(ccc1N....
241	5TFX	Ki = 60.9 nM	7B1	C14 H11 N3 O4 S	c1ccc(cc1)....
242	4WW6	Kd = 0.062 nM	3TV	C9 H9 F4 N O2 S2	CCCSc1c(c(....
243	3SAP	Kd = 0.014 uM	E2I	C16 H19 N3 O3 S2	CCCCc1cnc(....
244	2FOV	Kd = 28 nM	B30	C13 H15 Cu N3 O7 S	c1cc(ccc1C....
245	2X7U	Ki = 5340 nM	WZA	C19 H27 N O5 S	C[C@]12CC[....
246	5JEG	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
247	2NNS	Kd = 0.9 uM	M25	C10 H14 N2 O3 S	CC(=O)NCCc....
248	4Q6E	Kd = 0.667 uM	KR5	C14 H18 N4 O3 S	Cc1cc(n(n1....
249	4JSZ	Ki = 5000 uM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
250	5FDI	Ki = 18.5 nM	5WM	C9 H10 N2 O4 S2	c1ccc2c(c1....
251	5GMN	Kd = 18.8 uM	949	C18 H16 F N O4 S	CC1(C(=O)C....
252	3FFP	Ki = 72.5 nM	LC1	C10 H8 N4 O2 S2	c1cc2c(cc1....
253	3R17	Ki = 390 nM	5UM	C12 H11 F N2 O3 S2	c1cc(sc1)C....
254	5SZ2	Ki = 2 nM	72G	C13 H11 N O3 S	c1cc(cc(c1....
255	2HD6	Ki = 16 nM	BOS	C13 H12 N2 O3 S2	c1ccc(c(c1....
256	2QO8	Ki = 3.4 nM	3CC	C17 H26 N2 O3 S	CCCC(CCC)C....
257	5FNJ	Kd = 5150 uM	YI6	C10 H12 O3	CCOc1ccc(c....
258	1I91	ic50 = 1.15 nM	INQ	C17 H19 N3 O6 S3	c1cc(cc(c1....
259	4YXI	Kd = 331.7 nM	4J8	C7 H9 N O2 S	Cc1ccc(cc1....
260	1BN1	Kd = 0.46 nM	AL5	C12 H14 N2 O4 S3	Cc1ccc(cc1....
261	5JQT	Ki = 8180 nM	6M9	C7 H7 B O2	B1(c2ccccc....
262	1G48	Kd = 3.9 nM	F6B	C14 H12 F2 N2 O3 S	c1cc(c(c(c....
263	5SZ4	-	72D	C12 H11 N O2 S	c1ccc(cc1)....
264	1AM6	ic50 = 47 uM	HAE	C2 H5 N O2	CC(=O)NO
265	1OKL	Kd = 0.93 uM	MNS	C12 H14 N2 O2 S	CN(C)c1ccc....
266	3OY0	Ki = 10.1 nM	OY0	C15 H24 N2 O3 S	CCC[C@H](C....
267	2FOS	Kd = 27 nM	B17	C17 H23 Cu N3 O9 S	c1cc(ccc1C....
268	2EZ7	Kd = 43.5 uM	DHI	C6 H10 N3 O2	c1c([nH+]c....
269	3MZC	Ki = 226 nM	S6I	C12 H17 N3 O3 S	c1cc(ccc1N....
270	5A6H	Ki = 88 nM	OE2	C11 H14 Br N3 O5 S	c1cc(c(cc1....
271	1IF7	Kd = 30 pM	SBR	C19 H21 N3 O3 S	C[C@H](CNC....
272	3DCW	Ki < 1 nM	EZL	C9 H10 N2 O3 S2	CCOc1ccc2c....
273	5JGS	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
274	3C7P	ic50 = 0.1 nM	POF	C24 H27 N3 O5 S	C[C@]12CC[....
275	5O07	Ki = 33.8 nM	1VQ	C6 H10 N4 O5 S	Cc1ncc(n1C....
276	5TH4	-	BEW	C5 H6 N O S	c1cc[n+](c....
277	3DAZ	Ki = 11.8 nM	MZM	C5 H8 N4 O3 S2	CC(=O)/N=C....
278	4PQ7	Ki = 9.5 nM	IL3	C11 H14 N2 O3 S	CC#CCOc1cc....
279	5L3O	-	QUJ QUK 6H0 QVS QVE	n/a	n/a
280	1G54	Kd = 1.5 nM	FFB	C14 H9 F5 N2 O3 S	c1cc(ccc1C....
281	4Z1K	Ki = 4.7 nM	4KB	C16 H16 N2 O5 S	c1cc(ccc1C....
282	4JSS	Ki = 500 uM	BEW	C5 H6 N O S	c1cc[n+](c....
283	2Q38	Ki = 5950 nM	LSA	C7 H5 N O3 S	c1ccc2c(c1....
284	3HS4	Ki = 10 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
285	4BF6	Ki = 4.5 nM	X0Q	C13 H9 N5 O2 S2	c1cc(cc(c1....
286	2HKK	Ka = 96 M^-1	ALE	C9 H13 N O3	CNC[C@@H](....
287	2NNG	Kd = 4.4 uM	ZYX	C8 H12 N2 O2 S	c1cc(ccc1C....
288	3F8E	Ki = 59 nM	TE1	C15 H20 O5	CC(C)C[C@@....
289	5FLO	Kd = 709 uM	J4K	C8 H7 Cl N4 O	c1cc(ccc1O....
290	3DD0	Ki < 1 nM	EZL	C9 H10 N2 O3 S2	CCOc1ccc2c....
291	3ML2	Ki = 9.1 nM	SU0	C18 H16 N2 O6 S	COc1ccc2c(....
292	4M2R	Ki = 3.2 nM	BZ1	C12 H21 N3 O5 S3	CCN[C@H]1C....
293	4JSA	Ki = 11 uM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
294	3CYU	Kd = 60 nM	0CR	C74 H74 N10 O18 S	COc1cc2c3c....
295	1IF4	-	FBS	C6 H6 F N O2 S	c1cc(ccc1F....
296	1BNW	Kd = 0.83 nM	TPD	C9 H10 N2 O4 S4	c1cc(sc1)C....
297	2EU3	-	FF3	C3 H4 F2 N4 O2 S2	c1(nnc(s1)....
298	2QP6	Ki = 58.9 nM	MB1	C6 H5 Cl N2 O4 S	c1cc(c(cc1....
299	5JES	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
300	5JDV	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
301	4MDM	Ki = 6.79 uM	26E	C3 H5 B9 N2 O2 S	B123B45B16....
302	3RZ8	Kd = 6.7 nM	RZ8	C13 H20 N2 O3 S	CCCCCCNC(=....
303	3EFT	Ki = 12 nM	3BS	C16 H25 Cl N4 O3 S2	CC1(CC(CC(....
304	5U0D	Kd = 28.6 uM	7R7	C11 H11 N O4 S	COc1ccc(c(....
305	1CIN	Ki = 1.88 nM	MTS	C9 H14 N2 O4 S3	C[C@H]1C[C....
306	4MLX	Kd = 0.65 mM	TM7	C6 H6 O2 S	CC1=CC(=S)....
307	2FMZ	Ki = 35 nM	DPN	C9 H11 N O2	c1ccc(cc1)....
308	5SZ6	-	72G	C13 H11 N O3 S	c1cc(cc(c1....
309	3IEO	Ki = 331 nM	AMJ	C13 H18 N2 O3	CC(=O)N[C@....
310	3F4X	Ki = 138 nM	KLT	C14 H11 Cl N2 O4 S	c1ccc2c(c1....
311	3T5U	Ki = 5.47 uM	A09	C6 H7 N O3 S	c1ccc(cc1)....
312	1BNU	Kd = 0.2 nM	AL3	C11 H12 N2 O5 S4	c1cc(sc1)C....
313	1OKN	Kd = 2.3 nM	STB	C12 H19 N3 O3 S2	c1cc(ccc1C....
314	3DBU	Ki = 8.8 nM	D8W	C8 H8 N4 O4 S3	c1ccc(cc1)....
315	4MO8	Ki = 10.1 nM	2VQ	C6 H11 N5 O4 S	Cc1ncc(n1C....
316	1I9P	Kd = 3.9 nM	IOE	C14 H11 F3 N2 O3 S	c1cc(ccc1C....
317	3N2P	Ki = 15 nM	AYX	C13 H12 N4 O5 S	c1cc(cc(c1....
318	4QJM	Kd = 6.7 nM	V1F	C21 H19 F3 N2 O4 S2	c1ccc(cc1)....
319	3M40	Kd = 0.17 uM	J45	C10 H8 Cl N5 O4 S	c1cc(ccc1N....
320	5TY9	Kd = 6.1 uM	7QV	C11 H11 N O5	COc1ccc(c(....
321	2FOU	Kd = 80 nM	B22	C21 H22 Cu N4 O8 S	c1cc(cc(c1....
322	4QSA	Kd = 40 nM	EWW	C13 H12 Cl N3 O4 S2	CC1=CC(=O)....
323	5FNG	Kd = 1105 uM	YIE	C8 H6 Cl N4	c1cc(ccc1C....
324	4BF1	Ki = 2.4 nM	9FK	C16 H12 N4 O2 S2	c1ccc2c(c1....
325	4ZWI	-	62I	C13 H24 N2 O11 S2	CC(=O)OC[C....
326	1BN3	Kd = 0.13 nM	AL6	C13 H12 N2 O5 S3	COc1cccc(c....
327	4Q90	Ki = 7 mM	4H2	C6 H7 N S	CC1=CC(=S)....
328	5EHV	Kd = 826 uM	5ON	C18 H16 O5	c1cc(cc(c1....
329	4MDG	Ki = 0.7 uM	25X	C3 H5 B10 N2 O2 S	B1234B567B....
330	5JQ0	-	6M4	C7 H8 B O3	[B+]1(c2cc....
331	3MNU	Ki = 48 nM	BON	C12 H19 B N2 O4 S	B1(OC(C(O1....
332	2ABE	Ki = 113 uM	HIS	C6 H10 N3 O2	c1c([nH+]c....
333	4HEW	-	2MZ	C4 H6 N2	Cc1[nH]ccn....
334	5G01	-	OE2	C11 H14 Br N3 O5 S	c1cc(c(cc1....
335	3RYY	Kd = 38 nM	RYY	C10 H14 N2 O3 S	CCCNC(=O)c....
336	3SBI	Kd = 0.017 uM	E90	C12 H11 N3 O3 S2	c1cnc(nc1)....
337	5FNL	Kd = 826 uM	5ON	C18 H16 O5	c1cc(cc(c1....
338	3RZ1	Kd = 1.8 nM	RZ1	C12 H9 F9 N2 O3 S	c1cc(ccc1C....
339	4QSB	Kd = 1300 nM	EWY	C13 H13 N3 O4 S2	CC1=CC(=O)....
340	1YDB	Kd = 5.8 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
341	5EKJ	Kd = 1 uM	TG4	C14 H23 N3 O3 S	CCCCNCC(=O....
342	4Q7W	Ki = 2300 uM	6MH	C6 H7 N O S	CC1=CC=CC(....
343	2EU2	-	5DS	C5 H11 N5 O2 S2	CN(C)c1nnc....
344	4CQ0	-	SXS	C7 H6 N2 O3 S	c1cc2c(cc1....
345	1MOO	-	4MZ	C4 H6 N2	Cc1c[nH]cn....
346	3DC3	Ki = 4.9 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
347	3MNA	Ki = 41 nM	DWH	C12 H13 Cl N6 O4 S	COC(=O)CNc....
348	1CNW	Kd = 19 nM	EG1	C15 H24 N4 O6 S	c1cc(ccc1C....
349	4Z0Q	Ki = 6.8 nM	4K9	C16 H16 N2 O3 S	c1ccc2c(c1....
350	4LP6	-	Q4I	C68 H64 N12 O16 S	CC(C)COc1c....
351	5THJ	Ki = 1350 uM	0TR	C7 H6 O2	C1=CC=C(C(....
352	2HNC	Ki = 60 nM	1SA	C2 H4 N4 O2 S2	c1(nnc(s1)....
353	3S9T	Kd = 0.22 uM	E49	C14 H14 Cl N3 O3 S2	Cc1cc(nc(n....
354	4ILX	Ki = 233 nM	1EZ	C18 H24 N2 O3 S	c1cc(ccc1N....
355	5AMD	Ki = 2.8 nM	45I	C15 H16 N2 O6 S2	c1ccc(cc1)....
356	3P4V	Ki = 8 uM	PMX	C14 H14 Cl N O6	COC(=O)/C=....
357	3IBI	Ki = 2.6 nM	BOW	C8 H19 N O3 S	CCCCCCCCOS....
358	5JEH	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
359	2H4N	Ki = 2 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
360	5FNM	Kd = 791 uM	5O6	C11 H12 O3	C/C(=CC(=O....
361	1ZSB	Kd = 250 mM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
362	3OYQ	Ki = 10.3 nM	OYQ	C13 H20 N2 O3 S	CC[C@H](C)....
363	3T85	Ki = 11.3 nM	SG7	C10 H17 N O10 S	CC(=O)O[C@....
364	1IF5	-	FBT	C6 H5 F2 N O2 S	c1cc(c(c(c....
365	3IBN	Ki = 24.5 nM	O60	C10 H24 N2 O6 S2	C(CCCCCOS(....
366	4KAP	-	1QV	C7 H2 F4 N2 O2 S2	c12c(c(c(c....
367	5E28	Ki = 12.3 nM	BC5	C12 H12 N2 O2 S	c1cc(ccc1c....
368	5LVS	-	QUJ QUK 6H0 QVS QVE	n/a	n/a
369	5SZ1	Ki = 1.2 nM	72E	C13 H13 N O2 S	Cc1ccccc1c....
370	1I90	ic50 = 1.28 nM	INM	C10 H15 N3 O5 S3	COCCC[N@]1....
371	4IWZ	Ki = 51 nM	1GO	C8 H8 N4 O3 S3	c1cc(sc1)C....
372	4E3H	Ki = 90 nM	HQE	C6 H6 O2	c1cc(ccc1O....
373	1I8Z	ic50 = 1.27 nM	INL	C18 H21 N3 O6 S3	COc1cccc(c....
374	2F14	Ki = 45 nM	FL1	C29 H23 N3 O7 S2	c1cc(ccc1C....
375	3R16	Ki = 50 nM	5UN	C12 H12 N2 O3 S2	c1cc(sc1)C....
376	1CIL	Ki = 0.372 nM	ETS	C10 H16 N2 O4 S3	CCN[C@H]1C....
377	4ZX0	-	5L2	C14 H24 N2 O13 S2	CC(=O)OC[C....
378	3MHI	Kd = 0.2 uM	J90	C11 H11 N5 O5 S	c1cc(ccc1C....
379	3DCC	Ki = 1.1 nM	D9Z	C8 H6 Cl N3 O2 S2	c1ccc(c(c1....
380	4KNI	Kd = 16.7 nM	E1E	C14 H14 Cl N3 O3 S2	Cc1cc(nc(n....
381	3IGP	ic50 = 94.5 nM	DT7	C11 H16 N2 O4 S	COc1cc2c(c....
382	3RYJ	Kd = 16 nM	RYJ	C9 H9 F3 N2 O3 S	c1cc(ccc1C....
383	2FOQ	Kd = 235 nM	B15	C20 H21 Cu N3 O7 S	c1cc(ccc1C....
384	4ZWX	Ki = 2 nM	5KZ	C19 H32 N2 O14 S2	CC(=O)OC[C....
385	5N0D	Ki = 3.3 nM	8F2	C22 H20 N2 O5 S	c1ccc(cc1)....
386	4Q83	Ki = 64 uM	3FH	C6 H4 F3 N O S	C1=CN(C(=S....
387	4QJX	Kd = 52 nM	WWO	C15 H15 F3 N2 O5 S2	c1ccc(cc1)....
388	4HU1	Kd = 29 nM	V13	C8 H7 F4 N O5 S2	C(CS(=O)(=....
389	4KNN	Kd = 16.7 nM	E1F	C12 H10 Cl N3 O3 S2	c1cnc(nc1)....
390	4KNM	Kd = 10 nM	E1E	C14 H14 Cl N3 O3 S2	Cc1cc(nc(n....
391	4QIZ	Kd = 7.1 nM	WWX	C22 H21 F3 N2 O6 S2	c1ccc(cc1)....
392	5E2N	Kd = 0.29 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
393	3CZV	Ki = 16 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
394	4QJP	Kd = 2.5 nM	V1F	C21 H19 F3 N2 O4 S2	c1ccc(cc1)....
395	4QSJ	Kd = 5 nM	EWW	C13 H12 Cl N3 O4 S2	CC1=CC(=O)....
396	1FLJ	-	GSH	C10 H17 N3 O6 S	C(CC(=O)N[....
397	3ML5	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
398	2NMX	Kd = 2.7 uM	M25	C10 H14 N2 O3 S	CC(=O)NCCc....
399	1BZM	-	MZM	C5 H8 N4 O3 S2	CC(=O)/N=C....
400	2FW4	Kd = 30 nM	HIS	C6 H10 N3 O2	c1c([nH+]c....
401	3LXE	Ki = 250 nM	TOR	C12 H21 N O8 S	CC1(O[C@@H....
402	2IT4	Ki = 24.1 mM	PPF	C H3 O5 P	C(=O)(O)P(....
403	2NN7	Kd = 0.3 uM	M29	C11 H15 N O4 S	CCOC(=O)CC....
404	5E2M	Kd = 59 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
405	4WR7	Kd = 0.002 uM	3TV	C9 H9 F4 N O2 S2	CCCSc1c(c(....
406	4WUQ	-	3UG	C11 H12 F4 N2 O2 S	C1CCN(CC1)....
407	1CZM	-	AAS	C8 H10 Hg N2 O4 S	CC(=O)O[Hg....
408	2NN1	Kd = 1.5 uM	M28	C9 H11 N O4 S	c1cc(ccc1C....
409	4WUP	Kd = 0.15 nM	3UF	C8 H11 N O3 S2	c1cc(ccc1S....
410	2FOY	Kd = 120 nM	B30	C13 H15 Cu N3 O7 S	c1cc(ccc1C....
411	5GMM	Kd = 29.1 uM	949	C18 H16 F N O4 S	CC1(C(=O)C....
412	1AZM	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....

50% Homology Family (435)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 4 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	1I9L	Kd = 3.3 nM	INV	C14 H13 F N2 O3 S	c1cc(ccc1C....
7	3VBD	Ki = 8.6 nM	0FZ	C16 H16 N2 O3 S	COc1ccc2c(....
8	3M5E	Kd = 0.043 uM	JDR	C13 H13 Cl N4 O3 S2	CSc1nc(c(c....
9	3P5A	Ki = 0.95 nM	IT2	C5 H9 N O S2	C1COCCN1C(....
10	2AW1	Ki = 43 nM	COX	C16 H14 N2 O3 S	Cc1c(c(no1....
11	4M2W	-	ETS	C10 H16 N2 O4 S3	CCN[C@H]1C....
12	5J8Z	Ki = 5 nM	FC4	C20 H16 Cl N5 O4 S2	C[C@H](C(=....
13	4QTL	Kd = 120 nM	WWO	C15 H15 F3 N2 O5 S2	c1ccc(cc1)....
14	5BYI	Ki = 30.7 nM	4WA	C12 H12 N4 O2 S	c1cc(ccc1N....
15	4PYX	Kd = 910 nM	V90	C16 H23 F3 N2 O3 S2	C1CCCC(CCC....
16	5FLT	Kd = 1280 uM	VJJ	C13 H10 O3	c1ccc(cc1)....
17	4RIV	-	LSA	C7 H5 N O3 S	c1ccc2c(c1....
18	5EKM	Kd = 0.48 uM	TG5	C12 H19 N3 O3 S	CCCCNCC(=O....
19	3MHC	Ki = 11 nM	ARZ	C13 H18 N4 O3 S2	C1C2CC3CC1....
20	5L6K	-	QUK QVS 6H0 QUJ QVE	n/a	n/a
21	3M96	Kd = 0.06 uM	E38	C15 H11 Br Cl N3 O3 S2	c1cc(c(cc1....
22	4ITP	Ki = 54 nM	1GD	C15 H16 N2 O3 S	c1ccc(cc1)....
23	2GD8	ic50 = 379 nM	PO1	C19 H28 N2 O7 S2	C[C@]12CC[....
24	5G03	-	OE2	C11 H14 Br N3 O5 S	c1cc(c(cc1....
25	4QSI	Kd = 50 nM	EWZ	C16 H18 Cl N3 O4 S2	CC(C)(C)C1....
26	1BNV	Kd = 1.7 nM	AL7	C14 H17 N3 O5 S3	CN[C@@H]1C....
27	1I9Q	Kd = 3.9 nM	IOF	C14 H11 F3 N2 O3 S	c1cc(ccc1C....
28	2Q1Q	Ki = 7 nM	OSP	C10 H14 N2 O4 S2	c1cc(ccc1N....
29	5LJT	Ki = 1.2 nM	A6N	C15 H16 N4 O3 S	c1ccc(cc1)....
30	1G0E	-	4MZ	C4 H6 N2	Cc1c[nH]cn....
31	4QIY	Kd = 50 nM	WWX	C22 H21 F3 N2 O6 S2	c1ccc(cc1)....
32	2OSF	ic50 ~ 148 uM	TH0	C6 H6 O2 S	c1cc(c(cc1....
33	5BRV	Kd = 0.96 nM	9TH	C28 H31 Cl Ir N3 O4 S2	C[C-]12C3(....
34	5U0E	Kd = 7.7 uM	7R4	C10 H9 N O S2	c1ccc(cc1)....
35	4PYY	Kd = 29 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
36	1G45	Kd = 2.3 nM	FSB	C14 H13 F N2 O3 S	c1ccc(c(c1....
37	5FNK	Kd = 1005 uM	5OO	C9 H6 Cl2 O2	c1cc(c(cc1....
38	2NNO	Kd = 0.4 uM	M28	C9 H11 N O4 S	c1cc(ccc1C....
39	4Q81	Ki = 950 uM	7MH	C7 H9 N O S	CC1=CC(=S)....
40	3CA2	-	AMS	C6 H7 Hg N2 O2 S	c1cc(c(cc1....
41	4Q7P	Ki = 48 uM	3MH	C6 H7 N O S	CC1=CC=CN(....
42	4YYT	Kd = 428.6 nM	S2O	C8 H11 N O3 S	c1cc(ccc1C....
43	5E2K	Ki = 9.3 nM	BX4	C12 H12 N2 O2 S	c1cc(cc(c1....
44	3M2N	-	J74	C12 H12 Cl N5 O4 S	c1cc(ccc1C....
45	3OYS	Ki = 9 nM	OYS	C14 H14 N2 O3 S	c1ccc(cc1)....
46	3RYZ	Kd = 2.4 nM	RYZ	C11 H9 F7 N2 O3 S	c1cc(ccc1C....
47	4M2V	-	BZ1	C12 H21 N3 O5 S3	CCN[C@H]1C....
48	3S8X	Kd = 0.07 uM	E59	C13 H13 N3 O4 S2	CC1=CC(=O)....
49	5U0G	-	7QY	C12 H13 N O4 S	COc1ccc(c(....
50	3K7K	Kd ~ 8.86 nM	KCS	C H2 S3	C(=S)(S)S
51	3T83	Ki = 105 nM	MG5	C15 H25 N O11 S	CCC(=O)O[C....
52	3BL1	Ki = 2520 nM	BL1	C16 H16 Cl N3 O3 S	C[C@H]1Cc2....
53	5EH7	Kd = 330 uM	5O5	C8 H6 Cl2 N4 O	c1cc(c(cc1....
54	4RUY	Ki = 12.8 nM	3W6	C9 H13 N O3 S	CCCOc1ccc(....
55	3MHO	Kd = 0.32 uM	J43	C12 H11 Cl N4 O3 S2	CSc1nc(c(c....
56	4YX4	Kd = 1135.3 nM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
57	4N16	ic50 = 0.22 mM	CHD	C24 H40 O5	C[C@H](CCC....
58	3K2F	Ki = 63 nM	NKX	C14 H20 N4 O12 S3	CCN([C@H]1....
59	2WEO	Kd = 118 nM	FBW	C6 H6 F N O2 S	c1cc(cc(c1....
60	3PO6	-	DT9	C12 H18 N2 O4 S	C[C@H]1c2c....
61	3V7X	Ki = 2.7 nM	D7A	C17 H20 N2 O5 S	COc1ccc(cc....
62	3IBU	Ki = 0.7 nM	O48	C10 H23 N O3 S	CCCCCCCCCC....
63	1BNT	Kd = 0.16 nM	AL2	C13 H14 N2 O6 S3	COc1ccc(cc....
64	4YXU	Kd = 60.6 nM	4JE	C9 H13 N O2 S	CCCc1ccc(c....
65	4Q09	Kd = 6.7 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
66	5FLS	Kd = 905 uM	6ZX	C10 H9 Cl O2	C/C(=CC(=O....
67	3DCS	Ki = 11.4 nM	MZM	C5 H8 N4 O3 S2	CC(=O)/N=C....
68	5TYA	Kd = 32.9 uM	7QS	C9 H7 N O2 S	c1ccc(cc1)....
69	3RYV	Kd = 86 nM	RYV	C9 H12 N2 O3 S	CCNC(=O)c1....
70	2WEJ	Kd = 839 nM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
71	3MYQ	Kd = 0.03 uM	E27	C18 H13 Cl N4 O3 S2	c1ccc2c(c1....
72	4ZWZ	-	510	C12 H22 N2 O12 S2	COC(=O)[C@....
73	4Q6D	Kd = 0.0435 uM	WW3	C12 H18 N4 O2 S	c1cc(ccc1/....
74	3V5G	Ki = 74 nM	0F3	C6 H9 N3 O4 S2	c1cc(ccc1N....
75	1EOU	ic50 = 36 nM	SMS	C9 H15 N O10 S2	CC1(O[C@H]....
76	4RFC	Ki = 5.7 nM	3O1	C15 H24 N2 O5 S	CC(C)(C)OC....
77	5VGY	Kd = 65.5 uM	9AA	C12 H14 N2 O4 S	COc1ccc(c(....
78	1BN4	Kd = 0.49 nM	AL9	C12 H14 N2 O5 S3	COc1ccc(cc....
79	1G4O	Kd = 5.6 nM	BSB	C14 H14 N2 O3 S	c1ccc(cc1)....
80	5SZ3	Ki = 2.5 nM	72H	C15 H12 N2 O2 S	c1ccc2c(c1....
81	4RUZ	-	3W8	C8 H11 N O3 S	CCOc1ccc(c....
82	3KIG	ic50 = 245 nM	DA4	C8 H7 N O2 S	C#Cc1cccc(....
83	5SZ5	-	72E	C13 H13 N O2 S	Cc1ccccc1c....
84	3EFI	-	TRP	C11 H12 N2 O2	c1ccc2c(c1....
85	3N0N	Ki = 50 nM	P9B	C13 H8 F5 N3 O3 S	c1cc(ccc1N....
86	4Q06	Kd = 15 nM	V90	C16 H23 F3 N2 O3 S2	C1CCCC(CCC....
87	2X7T	Ki = 232 nM	WZB	C20 H30 N2 O6 S2	CCc1cc2c(c....
88	4Z1J	Kd = 7.7 nM	4KC	C16 H16 N2 O3 S	c1ccc2c(c1....
89	5U0F	Kd = 3.4 uM	7R1	C12 H13 N O3 S2	COc1ccc(c(....
90	3T5Z	Ki = 8.96 uM	B09	C7 H9 N O3 S	CONS(=O)(=....
91	4FIK	-	TH0	C6 H6 O2 S	c1cc(c(cc1....
92	4E3D	Ki = 5 mM	GTQ	C7 H6 O4	c1cc(c(cc1....
93	1G46	Kd = 1.6 nM	F2B	C14 H12 F2 N2 O3 S	c1cc(c(c(c....
94	5JEP	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
95	3IBL	Ki = 14.6 nM	O59	C8 H20 N2 O6 S2	C(CCCCOS(=....
96	5CLU	Ki = 78 uM	S8A	C9 H7 N O5 S	c1ccc2c(c1....
97	5FLR	Kd = 1.35 uM	XCZ	C5 H7 N3 O2 S	Cc1ccnc(n1....
98	5EKH	Kd = 1.11 uM	5RD	C11 H18 N2 O2 S	CCCCNCc1cc....
99	5JG5	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
100	1IF6	-	FBU	C6 H5 F2 N O2 S	c1c(cc(cc1....
101	2O4Z	Ki = 566 nM	HSW	H4 N2 O3 S	NS(=O)(=O)....
102	3T84	Ki = 106 nM	SG6	C8 H15 N O9 S	CC(=O)O[C@....
103	4Q78	-	25X	C3 H5 B10 N2 O2 S	B1234B567B....
104	5EH8	Kd = 791 uM	5O6	C11 H12 O3	C/C(=CC(=O....
105	5JGT	-	EVI	C3 H4 N2 O2 S2	c1csc(n1)S....
106	2WD2	-	MS5	C18 H22 N2 O5 S	COc1cccc(c....
107	1CRA	-	TRI	C2 H3 N3	c1[nH]cnn1
108	4KNJ	Kd = 11.1 nM	E1F	C12 H10 Cl N3 O3 S2	c1cnc(nc1)....
109	1OKM	-	SAB	C11 H17 N3 O3 S	c1cc(ccc1C....
110	3RZ5	Kd = 13 nM	RZ5	C12 H18 N2 O3 S	CCCCCNC(=O....
111	4Q7S	Ki = 38 uM	2YU	C6 H7 N O S	CC1=CC(=S)....
112	3N4B	Ki = 96 nM	WWZ	C13 H12 F N3 O3 S	c1cc(ccc1N....
113	3M1K	Ki = 4.1 uM	BEW	C5 H6 N O S	c1cc[n+](c....
114	1CIM	Ki = 1.52 nM	PTS	C8 H12 N2 O4 S3	C[C@H]1C[C....
115	4MLT	Ki = 1.4 mM	TM4	C6 H6 O2 S	CC1=C(C(=S....
116	3HKN	Ki = 4.51 uM	MFS	C26 H37 N O19 S	CC(=O)OC[C....
117	4RFD	Ki = 8.9 nM	3O5	C10 H16 N2 O3 S	c1cc(ccc1O....
118	2GEH	Ki = 28 uM	NHY	C H4 N2 O2	C(=O)(N)NO
119	4ZX1	-	5L3	C13 H24 N2 O11 S2	CC(=O)O[C@....
120	4E49	Ki = 7.7 uM	RCO	C6 H6 O2	c1cc(cc(c1....
121	3M3X	Kd = 0.15 uM	JS7	C13 H15 N5 O5 S	COc1c(c(nc....
122	3B4F	Ki = 7.2 nM	TUO	C15 H14 N4 O3 S	c1ccc(cc1)....
123	5SZ0	Ki = 0.8 nM	72D	C12 H11 N O2 S	c1ccc(cc1)....
124	4E3G	Ki = 8 mM	PHB	C7 H6 O3	c1cc(ccc1C....
125	4M2U	Ki = 9.1 nM	ETS	C10 H16 N2 O4 S3	CCN[C@H]1C....
126	4MDL	Ki = 1.16 uM	25Y	C3 H5 B10 N2 O2 S	B1234B567B....
127	4R5B	Ki = 185 nM	3J4	C10 H20 N2 O10 S2	C1CN(C[C@@....
128	4Q99	Ki = 52 uM	HT4	C7 H8 O S	Cc1ccc(c(c....
129	5N0E	Ki = 3.6 nM	8F3	C22 H20 N2 O5 S	c1ccc(cc1)....
130	4Z1E	Ki = 5.7 nM	DF5	C17 H15 N2 O4 S	COc1ccc2c(....
131	1BNQ	Kd = 0.32 nM	AL4	C11 H19 N3 O5 S3	CCN[C@H]1C....
132	1XPZ	Kd = 84 nM	4TZ	C16 H14 N6 O3 S	c1cc(ccc1C....
133	4Z1N	Ki = 5.89 nM	4KD	C18 H20 N2 O5 S	COc1cc2c(c....
134	2NNV	Kd = 0.03 uM	M29	C11 H15 N O4 S	CCOC(=O)CC....
135	4Q8X	Ki = 270 uM	7FH	C6 H4 F3 N O S	C1=CC(=S)N....
136	4KV0	Ki = 12 nM	MB7	C13 H14 N4 O5 S2	Cc1ccc(cc1....
137	1G1D	Kd = 0.36 nM	FSB	C14 H13 F N2 O3 S	c1ccc(c(c1....
138	4R5A	Ki = 2 nM	3J4	C10 H20 N2 O10 S2	C1CN(C[C@@....
139	5SZ7	-	72H	C15 H12 N2 O2 S	c1ccc2c(c1....
140	4PZH	Kd < 10 nM	V13	C8 H7 F4 N O5 S2	C(CS(=O)(=....
141	4Q07	Kd < 5 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
142	3N3J	Ki = 3.3 nM	WWV	C16 H19 N3 O3 S	CC(C)c1ccc....
143	3CAJ	Ki = 8 nM	EZL	C9 H10 N2 O3 S2	CCOc1ccc2c....
144	5DOH	Kd = 32 nM	5DU	C17 H17 F3 N2 O3 S2	c1ccc2c(c1....
145	5TI0	Ki = 61 uM	7CZ	C7 H6 O S	C1=CC=C(C(....
146	4RIU	-	3QR	C16 H18 N4 O9 S	c1cc2c(cc1....
147	3NI5	Ki = 28 nM	C1H	C13 H15 N5 O9 S3	c1cc(cc(c1....
148	3SBH	Kd = 0.033 uM	E65	C14 H15 N3 O3 S2	Cc1cc(nc(n....
149	4QY3	Ki = 0.15 uM	3G1	C14 H12 O3 S	c1ccc(cc1)....
150	3D9Z	Ki = 2 nM	D9Z	C8 H6 Cl N3 O2 S2	c1ccc(c(c1....
151	4HEZ	-	1MZ	C4 H7 N2	Cn1cc[nH+]....
152	1G52	Kd = 0.29 nM	F2B	C14 H12 F2 N2 O3 S	c1cc(c(c(c....
153	5TY8	Kd = 3.5 uM	7Q1	C9 H7 N O3	c1ccc(cc1)....
154	4Q87	Ki = 14 uM	4FH	C6 H4 F3 N O S	C1=CN(C(=S....
155	1I9O	Kd = 3.8 nM	IOC	C14 H11 F3 N2 O3 S	c1cc(ccc1C....
156	5FLQ	Kd = 1080 uM	IO2	C15 H14 O3	c1ccc(cc1)....
157	1YDD	Kd = 86 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
158	2POV	Ki = 75 nM	I7B	C6 H8 Cl N3 O4 S2	c1c(c(cc(c....
159	1G4J	Kd = 2 nM	FFB	C14 H9 F5 N2 O3 S	c1cc(ccc1C....
160	3D8W	Ki = 7 nM	D8W	C8 H8 N4 O4 S3	c1ccc(cc1)....
161	5FNH	-	YIP	C8 H6 Cl N4 O	c1cc(cc(c1....
162	2WEH	Kd = 1125 nM	FB1	C6 H6 Cl N O2 S	c1ccc(c(c1....
163	3M67	Kd = 0.18 uM	E36	C17 H14 Cl N3 O5 S2	c1cc(c(cc1....
164	1I9M	Kd = 3.3 nM	INW	C14 H12 F2 N2 O3 S	c1cc(ccc1C....
165	5JE7	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
166	2X7S	Ki = 1660 nM	WZC	C19 H27 N O5 S	C[C@]12CC[....
167	5BRU	-	8TH	C30 H35 Cl Ir N3 O4 S2	CCCC12C3([....
168	2FMG	-	PHE	C9 H11 N O2	c1ccc(cc1)....
169	1TTM	Kd ~ 45 nM	667	C14 H15 N O5 S	c1cc2c(cc1....
170	3MHM	Kd = 0.1 uM	J75	C18 H18 N6 O4 S	c1ccc(cc1)....
171	2POW	Ki = 63 nM	I7C	C7 H8 F3 N3 O4 S2	c1c(c(cc(c....
172	5TXY	Kd = 3.5 uM	7Q1	C9 H7 N O3	c1ccc(cc1)....
173	1AVN	Kd = 0.125 mM	HSM	C5 H9 N3	c1c(nc[nH]....
174	5EHW	Kd = 1005 uM	5OO	C9 H6 Cl2 O2	c1cc(c(cc1....
175	1LUG	-	SUA	C13 H14 N2 O3 S3	c1cc(ccc1N....
176	5LJQ	Ki = 1 nM	ANV	C15 H16 N4 O3 S	c1ccc(cc1)....
177	4E4A	Ki = 9 mM	JKE	C7 H6 O2 S	c1ccc(c(c1....
178	1ZE8	Ki = 21 nM	PIU	C16 H21 N2 O2 S	Cc1cc([n+]....
179	1BNN	Kd = 0.1 nM	AL1	C13 H14 N2 O5 S3	COc1cccc(c....
180	4RUX	Ki = 12 nM	3W3	C9 H11 N O3 S	C=CCOc1ccc....
181	5BNL	-	2HC	C9 H8 O3	c1ccc(c(c1....
182	1XQ0	Kd = 454 nM	4TR	C16 H13 Br N6 O3 S	c1cc(ccc1C....
183	2Q1B	Ki = 5950 nM	LSA	C7 H5 N O3 S	c1ccc2c(c1....
184	4Q8Y	Ki = 2300 uM	HQT	C9 H7 N O S	c1ccc2c(c1....
185	5THN	Ki = 96 uM	7CZ	C7 H6 O S	C1=CC=C(C(....
186	4YXO	Kd = 125.4 nM	4JC	C8 H11 N O2 S	CCc1ccc(cc....
187	5DOG	-	5DT	C21 H19 F3 N2 O2 S2	c1ccc(cc1)....
188	3BET	ic50 = 1.5 uM	CTF	C21 H28 N2 O4 S	C[C@]12CC[....
189	4R59	Ki = 11 nM	3J3	C11 H22 N2 O10 S2	C1CN(CCC1O....
190	5DRS	Kd = 1.1 nM	5EF	C17 H17 F3 N2 O5 S2	c1ccc2c(c1....
191	5FDC	Ki = 34.8 nM	5WN	C9 H10 N2 O2 S2	c1ccc2c(c1....
192	1YDA	Kd = 280 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
193	1CNX	Kd = 43 nM	EG2	C13 H21 N3 O5 S	c1cc(ccc1C....
194	5LMD	-	RC4	C16 H18 B N2 O5	[B-]1(c2cc....
195	4BCW	-	TU0	C8 H7 Br O4 S	c1cc(c(cc1....
196	5AML	Ki = 0.7 nM	51J	C11 H12 N2 O6 S2	CC#CCNS(=O....
197	4Q7V	Ki = 260 uM	5MH	C6 H7 N O S	CC1=CN(C(=....
198	3RYX	Kd = 7.3 nM	RYX	C10 H9 F5 N2 O3 S	c1cc(ccc1C....
199	5EH5	Kd = 1.35 uM	XCZ	C5 H7 N3 O2 S	Cc1ccnc(n1....
200	1IF9	-	SBB	C19 H21 N3 O3 S	CC[C@H](CN....
201	5FNI	Kd = 330 uM	YIH	C8 H5 Cl2 N4 O	c1cc(c(cc1....
202	4RN4	Ki = 114 nM	3T7	C20 H24 N10 O7 S2	c1ccc(cc1)....
203	2H15	Ki = 2135 nM	B19	C12 H22 N2 O7 S	CC1(O[C@@H....
204	4Q8Z	-	4HO	C6 H7 N O2	CC1=CC(=O)....
205	3T82	Ki = 307 nM	SG4	C10 H17 N O10 S	CC(=O)O[C@....
206	1KWR	ic50 = 0.25 uM	SG2	C8 H8 N2 O3 S2	CN1c2ccc(c....
207	5THI	Ki = 245 uM	0TR	C7 H6 O2	C1=CC=C(C(....
208	1OQ5	ic50 = 21 nM	CEL	C17 H14 F3 N3 O2 S	Cc1ccc(cc1....
209	2HL4	Ki = 23 nM	BO1	C12 H18 N2 O7 S	c1cc(ccc1N....
210	2OSM	ic50 = 1.05 uM	HTS	C6 H6 O S	c1ccc(c(c1....
211	3P58	Ki = 25.4 nM	P58	C9 H11 N S2	CN(Cc1cccc....
212	1G53	Kd = 0.91 nM	F6B	C14 H12 F2 N2 O3 S	c1cc(c(c(c....
213	4MTY	-	SBW	C14 H14 N2 O4 S	c1cc(cc(c1....
214	3BL0	Ki = 121 nM	BL0	C5 H10 N4 O2 S2	CN(C)c1nnc....
215	2QOA	Ki = 52 nM	MAJ	C9 H11 N O2 S	c1cc2c(cc1....
216	3SAX	Kd = 0.14 uM	E50	C14 H14 Cl N3 O3 S2	CCc1cnc(nc....
217	4HEY	-	4MZ	C4 H6 N2	Cc1c[nH]cn....
218	1BCD	Kd = 2 nM	FMS	C H2 F3 N O2 S	C(F)(F)(F)....
219	5E2R	Ki = 86.2 nM	520	C19 H16 N2 O3 S	c1cc(ccc1c....
220	3RZ7	Kd = 1.1 nM	RZ7	C13 H9 F11 N2 O3 S	c1cc(ccc1C....
221	3MHL	Kd = 0.056 uM	J71	C12 H13 N5 O5 S	COc1c(c(nc....
222	2FNN	Ki = 200 mM	4MZ	C4 H6 N2	Cc1c[nH]cn....
223	3P5L	Ki = 40.8 nM	IT5	C13 H14 N2 S2	c1ccc(cc1)....
224	5E2S	Ki = 0.98 nM	5CX	C15 H17 N O2 S	CC(C)c1ccc....
225	4Q08	Kd = 500 nM	V90	C16 H23 F3 N2 O3 S2	C1CCCC(CCC....
226	2WD3	ic50 = 86 nM	MS4	C16 H12 Cl N5 O3 S	c1cc(c(cc1....
227	2POU	Ki = 38 nM	I7A	C6 H6 Cl2 N2 O4 S2	c1c(cc(c(c....
228	4E3F	Ki = 3 mM	GRE	C7 H6 O4	c1cc(c(c(c....
229	3NB5	Ki = 18 nM	R21	C16 H17 Cl N2 O4 S	c1cc(ccc1C....
230	5AMG	Ki = 6 nM	IW7	C12 H18 N2 O6 S2	CCCCCNS(=O....
231	2HOC	Ki = 0.3 nM	1CN	C8 H7 Cl F N5 O4 S3	c1c(cc(c(c....
232	1I9N	Kd = 2.2 nM	IOA	C14 H12 F2 N2 O3 S	c1cc(ccc1C....
233	3DD8	Ki = 14 nM	2C7	C16 H21 N O5 S2	c1cc2c(cc1....
234	4Q9Y	Ki = 2.1 uM	M3T	C7 H8 S	Cc1cccc(c1....
235	5FLP	Kd = 631 uM	6J5	C8 H7 Cl N4 O	c1ccc(c(c1....
236	2WEG	Kd = 314 nM	FBV	C6 H6 F N O2 S	c1ccc(c(c1....
237	3RZ0	Kd = 28 nM	RZ0	C11 H16 N2 O3 S	CCCCNC(=O)....
238	4ZWY	Ki = 10 nM	4SN	C19 H32 N2 O14 S2	CC(=O)OC[C....
239	1CNY	Kd = 14 nM	EG3	C22 H30 N4 O6 S	c1ccc(cc1)....
240	3MMF	Ki = 37 nM	D9H	C11 H13 Cl N6 O3 S	c1cc(ccc1N....
241	5TFX	Ki = 60.9 nM	7B1	C14 H11 N3 O4 S	c1ccc(cc1)....
242	4WW6	Kd = 0.062 nM	3TV	C9 H9 F4 N O2 S2	CCCSc1c(c(....
243	3SAP	Kd = 0.014 uM	E2I	C16 H19 N3 O3 S2	CCCCc1cnc(....
244	2FOV	Kd = 28 nM	B30	C13 H15 Cu N3 O7 S	c1cc(ccc1C....
245	2X7U	Ki = 5340 nM	WZA	C19 H27 N O5 S	C[C@]12CC[....
246	5JEG	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
247	2NNS	Kd = 0.9 uM	M25	C10 H14 N2 O3 S	CC(=O)NCCc....
248	4Q6E	Kd = 0.667 uM	KR5	C14 H18 N4 O3 S	Cc1cc(n(n1....
249	4JSZ	Ki = 5000 uM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
250	5FDI	Ki = 18.5 nM	5WM	C9 H10 N2 O4 S2	c1ccc2c(c1....
251	5GMN	Kd = 18.8 uM	949	C18 H16 F N O4 S	CC1(C(=O)C....
252	3FFP	Ki = 72.5 nM	LC1	C10 H8 N4 O2 S2	c1cc2c(cc1....
253	3R17	Ki = 390 nM	5UM	C12 H11 F N2 O3 S2	c1cc(sc1)C....
254	5SZ2	Ki = 2 nM	72G	C13 H11 N O3 S	c1cc(cc(c1....
255	2HD6	Ki = 16 nM	BOS	C13 H12 N2 O3 S2	c1ccc(c(c1....
256	2QO8	Ki = 3.4 nM	3CC	C17 H26 N2 O3 S	CCCC(CCC)C....
257	5FNJ	Kd = 5150 uM	YI6	C10 H12 O3	CCOc1ccc(c....
258	1I91	ic50 = 1.15 nM	INQ	C17 H19 N3 O6 S3	c1cc(cc(c1....
259	4YXI	Kd = 331.7 nM	4J8	C7 H9 N O2 S	Cc1ccc(cc1....
260	1BN1	Kd = 0.46 nM	AL5	C12 H14 N2 O4 S3	Cc1ccc(cc1....
261	5JQT	Ki = 8180 nM	6M9	C7 H7 B O2	B1(c2ccccc....
262	1G48	Kd = 3.9 nM	F6B	C14 H12 F2 N2 O3 S	c1cc(c(c(c....
263	5SZ4	-	72D	C12 H11 N O2 S	c1ccc(cc1)....
264	1AM6	ic50 = 47 uM	HAE	C2 H5 N O2	CC(=O)NO
265	1OKL	Kd = 0.93 uM	MNS	C12 H14 N2 O2 S	CN(C)c1ccc....
266	3OY0	Ki = 10.1 nM	OY0	C15 H24 N2 O3 S	CCC[C@H](C....
267	2FOS	Kd = 27 nM	B17	C17 H23 Cu N3 O9 S	c1cc(ccc1C....
268	2EZ7	Kd = 43.5 uM	DHI	C6 H10 N3 O2	c1c([nH+]c....
269	3MZC	Ki = 226 nM	S6I	C12 H17 N3 O3 S	c1cc(ccc1N....
270	5A6H	Ki = 88 nM	OE2	C11 H14 Br N3 O5 S	c1cc(c(cc1....
271	1IF7	Kd = 30 pM	SBR	C19 H21 N3 O3 S	C[C@H](CNC....
272	3DCW	Ki < 1 nM	EZL	C9 H10 N2 O3 S2	CCOc1ccc2c....
273	5JGS	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
274	3C7P	ic50 = 0.1 nM	POF	C24 H27 N3 O5 S	C[C@]12CC[....
275	5O07	Ki = 33.8 nM	1VQ	C6 H10 N4 O5 S	Cc1ncc(n1C....
276	5TH4	-	BEW	C5 H6 N O S	c1cc[n+](c....
277	3DAZ	Ki = 11.8 nM	MZM	C5 H8 N4 O3 S2	CC(=O)/N=C....
278	4PQ7	Ki = 9.5 nM	IL3	C11 H14 N2 O3 S	CC#CCOc1cc....
279	5L3O	-	QUJ QUK 6H0 QVS QVE	n/a	n/a
280	1G54	Kd = 1.5 nM	FFB	C14 H9 F5 N2 O3 S	c1cc(ccc1C....
281	4Z1K	Ki = 4.7 nM	4KB	C16 H16 N2 O5 S	c1cc(ccc1C....
282	4JSS	Ki = 500 uM	BEW	C5 H6 N O S	c1cc[n+](c....
283	2Q38	Ki = 5950 nM	LSA	C7 H5 N O3 S	c1ccc2c(c1....
284	3HS4	Ki = 10 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
285	4BF6	Ki = 4.5 nM	X0Q	C13 H9 N5 O2 S2	c1cc(cc(c1....
286	2HKK	Ka = 96 M^-1	ALE	C9 H13 N O3	CNC[C@@H](....
287	2NNG	Kd = 4.4 uM	ZYX	C8 H12 N2 O2 S	c1cc(ccc1C....
288	3F8E	Ki = 59 nM	TE1	C15 H20 O5	CC(C)C[C@@....
289	5FLO	Kd = 709 uM	J4K	C8 H7 Cl N4 O	c1cc(ccc1O....
290	3DD0	Ki < 1 nM	EZL	C9 H10 N2 O3 S2	CCOc1ccc2c....
291	3ML2	Ki = 9.1 nM	SU0	C18 H16 N2 O6 S	COc1ccc2c(....
292	4M2R	Ki = 3.2 nM	BZ1	C12 H21 N3 O5 S3	CCN[C@H]1C....
293	4JSA	Ki = 11 uM	FB2	C6 H7 N O2 S	c1ccc(cc1)....
294	3CYU	Kd = 60 nM	0CR	C74 H74 N10 O18 S	COc1cc2c3c....
295	1IF4	-	FBS	C6 H6 F N O2 S	c1cc(ccc1F....
296	1BNW	Kd = 0.83 nM	TPD	C9 H10 N2 O4 S4	c1cc(sc1)C....
297	2EU3	-	FF3	C3 H4 F2 N4 O2 S2	c1(nnc(s1)....
298	2QP6	Ki = 58.9 nM	MB1	C6 H5 Cl N2 O4 S	c1cc(c(cc1....
299	5JES	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
300	5JDV	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
301	4MDM	Ki = 6.79 uM	26E	C3 H5 B9 N2 O2 S	B123B45B16....
302	3RZ8	Kd = 6.7 nM	RZ8	C13 H20 N2 O3 S	CCCCCCNC(=....
303	3EFT	Ki = 12 nM	3BS	C16 H25 Cl N4 O3 S2	CC1(CC(CC(....
304	5U0D	Kd = 28.6 uM	7R7	C11 H11 N O4 S	COc1ccc(c(....
305	1CIN	Ki = 1.88 nM	MTS	C9 H14 N2 O4 S3	C[C@H]1C[C....
306	4MLX	Kd = 0.65 mM	TM7	C6 H6 O2 S	CC1=CC(=S)....
307	2FMZ	Ki = 35 nM	DPN	C9 H11 N O2	c1ccc(cc1)....
308	5SZ6	-	72G	C13 H11 N O3 S	c1cc(cc(c1....
309	3IEO	Ki = 331 nM	AMJ	C13 H18 N2 O3	CC(=O)N[C@....
310	3F4X	Ki = 138 nM	KLT	C14 H11 Cl N2 O4 S	c1ccc2c(c1....
311	3T5U	Ki = 5.47 uM	A09	C6 H7 N O3 S	c1ccc(cc1)....
312	1BNU	Kd = 0.2 nM	AL3	C11 H12 N2 O5 S4	c1cc(sc1)C....
313	1OKN	Kd = 2.3 nM	STB	C12 H19 N3 O3 S2	c1cc(ccc1C....
314	3DBU	Ki = 8.8 nM	D8W	C8 H8 N4 O4 S3	c1ccc(cc1)....
315	4MO8	Ki = 10.1 nM	2VQ	C6 H11 N5 O4 S	Cc1ncc(n1C....
316	1I9P	Kd = 3.9 nM	IOE	C14 H11 F3 N2 O3 S	c1cc(ccc1C....
317	3N2P	Ki = 15 nM	AYX	C13 H12 N4 O5 S	c1cc(cc(c1....
318	4QJM	Kd = 6.7 nM	V1F	C21 H19 F3 N2 O4 S2	c1ccc(cc1)....
319	3M40	Kd = 0.17 uM	J45	C10 H8 Cl N5 O4 S	c1cc(ccc1N....
320	5TY9	Kd = 6.1 uM	7QV	C11 H11 N O5	COc1ccc(c(....
321	2FOU	Kd = 80 nM	B22	C21 H22 Cu N4 O8 S	c1cc(cc(c1....
322	4QSA	Kd = 40 nM	EWW	C13 H12 Cl N3 O4 S2	CC1=CC(=O)....
323	5FNG	Kd = 1105 uM	YIE	C8 H6 Cl N4	c1cc(ccc1C....
324	4BF1	Ki = 2.4 nM	9FK	C16 H12 N4 O2 S2	c1ccc2c(c1....
325	4ZWI	-	62I	C13 H24 N2 O11 S2	CC(=O)OC[C....
326	1BN3	Kd = 0.13 nM	AL6	C13 H12 N2 O5 S3	COc1cccc(c....
327	4Q90	Ki = 7 mM	4H2	C6 H7 N S	CC1=CC(=S)....
328	5EHV	Kd = 826 uM	5ON	C18 H16 O5	c1cc(cc(c1....
329	4MDG	Ki = 0.7 uM	25X	C3 H5 B10 N2 O2 S	B1234B567B....
330	5JQ0	-	6M4	C7 H8 B O3	[B+]1(c2cc....
331	3MNU	Ki = 48 nM	BON	C12 H19 B N2 O4 S	B1(OC(C(O1....
332	2ABE	Ki = 113 uM	HIS	C6 H10 N3 O2	c1c([nH+]c....
333	4HEW	-	2MZ	C4 H6 N2	Cc1[nH]ccn....
334	5G01	-	OE2	C11 H14 Br N3 O5 S	c1cc(c(cc1....
335	3RYY	Kd = 38 nM	RYY	C10 H14 N2 O3 S	CCCNC(=O)c....
336	3SBI	Kd = 0.017 uM	E90	C12 H11 N3 O3 S2	c1cnc(nc1)....
337	5FNL	Kd = 826 uM	5ON	C18 H16 O5	c1cc(cc(c1....
338	3RZ1	Kd = 1.8 nM	RZ1	C12 H9 F9 N2 O3 S	c1cc(ccc1C....
339	4QSB	Kd = 1300 nM	EWY	C13 H13 N3 O4 S2	CC1=CC(=O)....
340	1YDB	Kd = 5.8 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
341	5EKJ	Kd = 1 uM	TG4	C14 H23 N3 O3 S	CCCCNCC(=O....
342	4Q7W	Ki = 2300 uM	6MH	C6 H7 N O S	CC1=CC=CC(....
343	2EU2	-	5DS	C5 H11 N5 O2 S2	CN(C)c1nnc....
344	4CQ0	-	SXS	C7 H6 N2 O3 S	c1cc2c(cc1....
345	1MOO	-	4MZ	C4 H6 N2	Cc1c[nH]cn....
346	3DC3	Ki = 4.9 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
347	3MNA	Ki = 41 nM	DWH	C12 H13 Cl N6 O4 S	COC(=O)CNc....
348	1CNW	Kd = 19 nM	EG1	C15 H24 N4 O6 S	c1cc(ccc1C....
349	4Z0Q	Ki = 6.8 nM	4K9	C16 H16 N2 O3 S	c1ccc2c(c1....
350	4LP6	-	Q4I	C68 H64 N12 O16 S	CC(C)COc1c....
351	5THJ	Ki = 1350 uM	0TR	C7 H6 O2	C1=CC=C(C(....
352	2HNC	Ki = 60 nM	1SA	C2 H4 N4 O2 S2	c1(nnc(s1)....
353	3S9T	Kd = 0.22 uM	E49	C14 H14 Cl N3 O3 S2	Cc1cc(nc(n....
354	4ILX	Ki = 233 nM	1EZ	C18 H24 N2 O3 S	c1cc(ccc1N....
355	5AMD	Ki = 2.8 nM	45I	C15 H16 N2 O6 S2	c1ccc(cc1)....
356	3P4V	Ki = 8 uM	PMX	C14 H14 Cl N O6	COC(=O)/C=....
357	3IBI	Ki = 2.6 nM	BOW	C8 H19 N O3 S	CCCCCCCCOS....
358	5JEH	-	EVF	C7 H6 N2 O2 S2	c1ccc2c(c1....
359	2H4N	Ki = 2 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
360	5FNM	Kd = 791 uM	5O6	C11 H12 O3	C/C(=CC(=O....
361	1ZSB	Kd = 250 mM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
362	3OYQ	Ki = 10.3 nM	OYQ	C13 H20 N2 O3 S	CC[C@H](C)....
363	3T85	Ki = 11.3 nM	SG7	C10 H17 N O10 S	CC(=O)O[C@....
364	1IF5	-	FBT	C6 H5 F2 N O2 S	c1cc(c(c(c....
365	3IBN	Ki = 24.5 nM	O60	C10 H24 N2 O6 S2	C(CCCCCOS(....
366	4KAP	-	1QV	C7 H2 F4 N2 O2 S2	c12c(c(c(c....
367	5E28	Ki = 12.3 nM	BC5	C12 H12 N2 O2 S	c1cc(ccc1c....
368	5LVS	-	QUJ QUK 6H0 QVS QVE	n/a	n/a
369	5SZ1	Ki = 1.2 nM	72E	C13 H13 N O2 S	Cc1ccccc1c....
370	1I90	ic50 = 1.28 nM	INM	C10 H15 N3 O5 S3	COCCC[N@]1....
371	4IWZ	Ki = 51 nM	1GO	C8 H8 N4 O3 S3	c1cc(sc1)C....
372	4E3H	Ki = 90 nM	HQE	C6 H6 O2	c1cc(ccc1O....
373	1I8Z	ic50 = 1.27 nM	INL	C18 H21 N3 O6 S3	COc1cccc(c....
374	2F14	Ki = 45 nM	FL1	C29 H23 N3 O7 S2	c1cc(ccc1C....
375	3R16	Ki = 50 nM	5UN	C12 H12 N2 O3 S2	c1cc(sc1)C....
376	1CIL	Ki = 0.372 nM	ETS	C10 H16 N2 O4 S3	CCN[C@H]1C....
377	4ZX0	-	5L2	C14 H24 N2 O13 S2	CC(=O)OC[C....
378	3MHI	Kd = 0.2 uM	J90	C11 H11 N5 O5 S	c1cc(ccc1C....
379	3DCC	Ki = 1.1 nM	D9Z	C8 H6 Cl N3 O2 S2	c1ccc(c(c1....
380	4KNI	Kd = 16.7 nM	E1E	C14 H14 Cl N3 O3 S2	Cc1cc(nc(n....
381	3IGP	ic50 = 94.5 nM	DT7	C11 H16 N2 O4 S	COc1cc2c(c....
382	3RYJ	Kd = 16 nM	RYJ	C9 H9 F3 N2 O3 S	c1cc(ccc1C....
383	2FOQ	Kd = 235 nM	B15	C20 H21 Cu N3 O7 S	c1cc(ccc1C....
384	4ZWX	Ki = 2 nM	5KZ	C19 H32 N2 O14 S2	CC(=O)OC[C....
385	5N0D	Ki = 3.3 nM	8F2	C22 H20 N2 O5 S	c1ccc(cc1)....
386	4Q83	Ki = 64 uM	3FH	C6 H4 F3 N O S	C1=CN(C(=S....
387	4QJX	Kd = 52 nM	WWO	C15 H15 F3 N2 O5 S2	c1ccc(cc1)....
388	4HU1	Kd = 29 nM	V13	C8 H7 F4 N O5 S2	C(CS(=O)(=....
389	4KNN	Kd = 16.7 nM	E1F	C12 H10 Cl N3 O3 S2	c1cnc(nc1)....
390	4KNM	Kd = 10 nM	E1E	C14 H14 Cl N3 O3 S2	Cc1cc(nc(n....
391	4QIZ	Kd = 7.1 nM	WWX	C22 H21 F3 N2 O6 S2	c1ccc(cc1)....
392	5E2N	Kd = 0.29 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
393	3CZV	Ki = 16 nM	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
394	4QJP	Kd = 2.5 nM	V1F	C21 H19 F3 N2 O4 S2	c1ccc(cc1)....
395	4QSJ	Kd = 5 nM	EWW	C13 H12 Cl N3 O4 S2	CC1=CC(=O)....
396	4COQ	-	SAN	C6 H8 N2 O2 S	c1cc(ccc1N....
397	4UOV	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
398	5TT3	Ki = 193 nM	EZL	C9 H10 N2 O3 S2	CCOc1ccc2c....
399	5TUO	Ki = 323 nM	1SA	C2 H4 N4 O2 S2	c1(nnc(s1)....
400	4X5S	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
401	4QJ0	Kd = 48 nM	WWX	C22 H21 F3 N2 O6 S2	c1ccc(cc1)....
402	4QJO	Kd = 40 nM	V1F	C21 H19 F3 N2 O4 S2	c1ccc(cc1)....
403	4KP8	Kd = 3330 nM	E1G	C12 H11 N3 O3 S2	c1cc(cc(c1....
404	4KP5	Kd = 833 nM	E1F	C12 H10 Cl N3 O3 S2	c1cnc(nc1)....
405	1JD0	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
406	4QJW	Kd = 16 nM	WWO	C15 H15 F3 N2 O5 S2	c1ccc(cc1)....
407	4HT2	Kd = 290 nM	V50	C12 H9 F4 N3 O2 S2	Cc1cc(nc(n....
408	4WW8	Kd = 0.067 nM	VD9	C9 H13 N O2 S2	CCCSc1ccc(....
409	4Q0L	Kd < 10 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
410	1FLJ	-	GSH	C10 H17 N3 O6 S	C(CC(=O)N[....
411	5FL6	Ki = 43.6 nM	Y0R	C13 H12 N4 O2 S2	Cc1ccc(cc1....
412	5FL4	Ki = 101 nM	9FK	C16 H12 N4 O2 S2	c1ccc2c(c1....
413	3IAI	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
414	5FL5	Ki = 6.4 nM	82E	C13 H12 N4 O3 S2	COc1ccc(cc....
415	1DMY	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
416	3ML5	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
417	2NMX	Kd = 2.7 uM	M25	C10 H14 N2 O3 S	CC(=O)NCCc....
418	1BZM	-	MZM	C5 H8 N4 O3 S2	CC(=O)/N=C....
419	2FW4	Kd = 30 nM	HIS	C6 H10 N3 O2	c1c([nH+]c....
420	3LXE	Ki = 250 nM	TOR	C12 H21 N O8 S	CC1(O[C@@H....
421	2IT4	Ki = 24.1 mM	PPF	C H3 O5 P	C(=O)(O)P(....
422	2NN7	Kd = 0.3 uM	M29	C11 H15 N O4 S	CCOC(=O)CC....
423	5E2M	Kd = 59 nM	V14	C16 H23 F3 N2 O5 S2	C1CCCC(CCC....
424	4WR7	Kd = 0.002 uM	3TV	C9 H9 F4 N O2 S2	CCCSc1c(c(....
425	4WUQ	-	3UG	C11 H12 F4 N2 O2 S	C1CCN(CC1)....
426	1CZM	-	AAS	C8 H10 Hg N2 O4 S	CC(=O)O[Hg....
427	2NN1	Kd = 1.5 uM	M28	C9 H11 N O4 S	c1cc(ccc1C....
428	4WUP	Kd = 0.15 nM	3UF	C8 H11 N O3 S2	c1cc(ccc1S....
429	2FOY	Kd = 120 nM	B30	C13 H15 Cu N3 O7 S	c1cc(ccc1C....
430	5GMM	Kd = 29.1 uM	949	C18 H16 F N O4 S	CC1(C(=O)C....
431	1AZM	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
432	3F7B	ic50 = 64 nM	AG5	C20 H19 N3 O3 S2	c1ccc(cc1)....
433	4LU3	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....
434	5CJF	Ki = 0.26 nM	520	C19 H16 N2 O3 S	c1cc(ccc1c....
435	4G7A	-	AZM	C4 H6 N4 O3 S2	CC(=O)Nc1n....