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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4EYM	2.35 Å	EC: 2.7.11.24	MAPK13 COMPLEX WITH INHIBITOR	HOMO SAPIENS	P38 FAMILY KINASE MAP KINASE TRANSFERASE-TRANSFERASE INHIBCOMPLEX
Ref.:	IL-13-INDUCED AIRWAY MUCUS PRODUCTION IS ATTENUATED MAPK13 INHIBITION. J.CLIN.INVEST. V. 122 4555 2012

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
0RX	A:401;	Valid;	none;	submit data		376.409	C21 H20 N4 O3	c1cc(...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
5EKO	2 Å	EC: 2.7.11.24	CRYSTAL STRUCTURE OF MAPK13 COMPLEX WITH INHIBITOR	HOMO SAPIENS	KINASE TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.:	FIRST COMPREHENSIVE STRUCTURAL AND BIOPHYSICAL ANAL MAPK13 INHIBITORS TARGETING DFG-IN AND DFG-OUT BIND MODES. BIOCHIM.BIOPHYS.ACTA V.1860 2335 2016

Members (3)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 17 families.
1	4EYM	-	0RX	C21 H20 N4 O3	c1cc(ccc1N....
2	5EKO	ic50 = 15785 nM	N17	C22 H18 N4 O2	Cc1cn(cn1)....
3	4EYJ	-	N61	C20 H23 N5 O2	CC(C)(C)c1....

70% Homology Family (230)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 11 families.
1	5R8X	-	SLY	C13 H13 N O	c1ccc(cc1)....
2	3GCV	Kd = 74 nM	SS6	C29 H30 N8 O	Cc1cccc(c1....
3	3L8S	Kd = 99 nM	BFF	C20 H24 Br F2 N5 O3 S	c1c(cc(c(c....
4	6Y7Y	-	OFQ	C11 H19 N O	C1C2CC3CC1....
5	3RIN	ic50 = 1.3 nM	I2O	C23 H24 N2 O2	Cc1ccc(cc1....
6	5N65	-	8OT	C20 H18 N4 S	c1ccc(cc1)....
7	4FA2	-	SB0	C20 H21 F N4 O2	COc1nccc(n....
8	5R9B	-	JGM	C11 H15 N3 O3	CC(=O)N[C@....
9	2GHM	-	LIC	C24 H28 Cl N5 O3	C[C@@H](C(....
10	5RA0	-	JFS	C14 H12 N2 O	c1ccc2c(c1....
11	1W84	ic50 = 35 uM	L12	C15 H14 N2	c1ccc2c(c1....
12	6M95	ic50 = 140 nM	J8S	C21 H25 N O2 S	COc1cc(ccc....
13	4EH5	-	IRG	C17 H16 N4	c1ccc(cc1)....
14	5R9K	-	SR4	C11 H10 O3	c1ccc2c(c1....
15	2BAK	Kd = 37 nM	AQZ	C32 H37 N7 O4	Cc1ccc(cc1....
16	3HV6	ic50 = 5500 nM	R39	C27 H35 N5 O3	Cc1ccc(cc1....
17	5R9G	-	RGY	C12 H17 N3 O2	Cc1c2c(on1....
18	3HP2	-	P36	C19 H16 Br N O2	c1ccc(cc1)....
19	6M9L	ic50 = 29 nM	J9G	C19 H14 F2 N4 O	c1ccc(cc1)....
20	6YCU	-	OKZ	C13 H14 N2 O4 S	CCCNS(=O)(....
21	1WBO	ic50 > 1 mM	2CH	C6 H5 Cl O	c1ccc(c(c1....
22	4KIQ	ic50 = 23 nM	1RA	C23 H23 N3 O4	CCOC(=O)n1....
23	3GC7	ic50 = 0.4 nM	B45	C28 H27 Cl3 F N3 O	CC(C)N1CCC....
24	4EH6	-	IRG	C17 H16 N4	c1ccc(cc1)....
25	5MTX	Kd = 17.7 nM	FJI	C34 H31 F N4 O5	c1ccc(cc1)....
26	2ZB0	Ki = 0.24 uM	GK3	C24 H18 N4 O2	Cc1ccc(cc1....
27	2GTM	ic50 = 542 nM	LID	C19 H15 Cl F2 N6	CCn1c2c(cn....
28	5N66	-	B96	C31 H37 N5 O3	Cc1ccc(cc1....
29	6Y81	Kd = 25.1 uM	OG5	C29 H35 N5 O5 S	c1ccc(cc1)....
30	5R94	-	SOV	C12 H8 N2 O2	Cc1ccc(cc1....
31	2YIX	Kd = 3.3 nM	YIX	C19 H23 N5 O S	CCNC(=O)NC....
32	3OCG	ic50 = 3 nM	OCG	C21 H18 N6 O3	Cc1ccc(cc1....
33	1BL7	-	SB4	C18 H19 F N6	c1cc(ccc1c....
34	5R99	-	SU7	C15 H18 N2 O	c1ccc(cc1)....
35	6YJC	ic50 = 81.3 nM	OSZ	C32 H41 N7 O3	c1ccc(cc1)....
36	3P7C	ic50 = 0.022 uM	P7C	C25 H33 Cl2 N5 O3 S	CC(C)(C)c1....
37	5RA2	-	SV4	C11 H17 N3	Cc1cccnc1N....
38	5R90	-	SNJ	C15 H12 N2 O	c1ccc(cc1)....
39	6Y6V	-	OE5	C32 H33 N7 O2	Cc1ccc(cc1....
40	5TBE	Kd = 4.4 nM	78L	C33 H30 F2 N4 O4 S	c1cc(sc1)C....
41	4KIP	ic50 = 7 nM	1R9	C21 H18 Cl N3 O2 S	Cc1ccc(cc1....
42	5R8Y	-	SMV	C5 H5 N S2	c1cc(sc1)C....
43	2EWA	-	SB2	C21 H16 F N3 O S	C[S@](=O)c....
44	2GHL	-	LIB	C23 H26 Cl N5 O3	C[C@@H](C(....
45	1ZZ2	ic50 = 6 uM	B11	C24 H26 F N3 O4 S	c1ccc(c(c1....
46	5R9H	-	SQV	C10 H13 N O3	C[C@@H](c1....
47	3ZSI	-	52P	C19 H9 Cl2 F2 N3 O S	c1cc(c(c(c....
48	2YIW	-	YIW	C30 H33 N7 O S	CC(C)c1nnc....
49	5WJJ	ic50 = 5.4 nM	AQY	C25 H19 F N6 O2	Cc1cc(ccc1....
50	1A9U	-	SB2	C21 H16 F N3 O S	C[S@](=O)c....
51	6ZWP	ic50 = 22.1 nM	OE8	C34 H37 F N6 O3	c1ccc(cc1)....
52	1M7Q	ic50 = 2.6 nM	DQO	C24 H20 Cl2 F2 N4 O	c1cc(c(c(c....
53	5R91	-	SNV	C12 H19 N3 O	c1ccc(c(c1....
54	5MTY	Kd = 1.3 nM	HB9	C29 H23 F2 N3 O4 S	c1cc(sc1)C....
55	6HWU	ic50 = 54.7 nM	GE5	C31 H26 F N5 O3 S	COc1ccc(c(....
56	4EH7	-	IRG	C17 H16 N4	c1ccc(cc1)....
57	1YQJ	Ki = 7.3 nM	6NP	C30 H27 N5	c1ccc(cc1)....
58	4EH3	-	NAR	C15 H12 O5	c1cc(ccc1[....
59	5R9I	-	SQY	C15 H14 Br N O2	COC(=O)[C@....
60	4AA5	ic50 = 16 nM	NQB	C24 H27 N5 O2	Cc1ccc(cc1....
61	1OVE	ic50 = 0.74 nM	358	C26 H22 Cl2 F2 N2 O	c1cc(c(c(c....
62	3UVP	ic50 = 0.035 uM	048	C24 H21 F N2 O2	c1ccc(cc1)....
63	5N67	-	8ON	C28 H30 N6 O	CC(=O)N1CC....
64	3NNV	ic50 = 27 nM	437	C25 H26 N4 O2	CC(C)(C)c1....
65	3CTQ	ic50 = 40 nM	337	C30 H34 N6 O5 S	Cc1ccc(cc1....
66	5R9T	-	6T5	C13 H16 N4 O	CC1=NNC(=O....
67	5R96	-	SQ7	C9 H5 Cl N2 O2	c1cc(ccc1N....
68	3IW7	-	IPK	C26 H26 N4 O S	c1ccc(cc1)....
69	3ITZ	ic50 = 1.4 nM	P66	C21 H15 Cl F2 N6 O	c1cc(c(c(c....
70	2ZB1	Ki = 0.48 uM	GK4	C21 H21 N3 O2	Cc1ccc(cc1....
71	3HV5	ic50 = 150 nM	R24	C30 H29 N7 O3	Cc1ccc(cc1....
72	1WBW	ic50 = 44 uM	LI4	C16 H14 N2 O	c1ccc2c(c1....
73	3P79	ic50 = 2.3 uM	P79	C24 H29 N5 O4 S	CC(C)(C)c1....
74	3HV7	Kd ~ 12 nM	1AU	C24 H25 N5 O	CC(C)(C)c1....
75	3GFE	ic50 = 3.2 nM	P37	C24 H21 F2 N5 O2	Cc1ccc(cc1....
76	3ZYA	-	2A8	C21 H18 N2 O	c1ccc2c(c1....
77	2RG5	ic50 = 3.1 nM	279	C19 H22 N6 O3	CCNC(=O)c1....
78	3L8X	ic50 = 10 nM	N4D	C20 H18 N6 O	Cc1ccc(cc1....
79	5R9A	-	SQM	C12 H12 N4 O2	Cn1c(c(cn1....
80	5R9S	-	A9B	C11 H9 Cl N2 O2	c1cc(ccc1c....
81	5OMH	-	9Y5	C16 H12 Cl N3 O2 S	Cc1c2c(n(n....
82	5R8W	-	JND	C8 H8 N2 O S	CCc1cc2c(s....
83	5RA6	-	SVM	C15 H21 N3 S	c1ccnc(c1)....
84	3GCS	Kd = 56 nM	BAX	C21 H16 Cl F3 N4 O3	CNC(=O)c1c....
85	6OHD	ic50 = 0.42 nM	MKP	C21 H21 N5 O3	Cc1ccc(cc1....
86	3ZS5	-	SB2	C21 H16 F N3 O S	C[S@](=O)c....
87	3D83	Ki = 4.4 nM	GK6	C28 H30 N4 O3	Cc1ccc(cc1....
88	1YW2	ic50 = 141 nM	PGJ	C22 H18 F N3 O5	CCOC[N@]1C....
89	1W82	ic50 = 196 nM	L10	C20 H21 Cl N4 O	CC(C)(C)C1....
90	3ZSG	-	T75	C24 H21 N3 O S	CCc1nc(c(s....
91	5TCO	Kd = 3.14 nM	79Q	C35 H33 F N4 O4	c1ccc(cc1)....
92	5R9Z	-	AYS	C13 H11 Cl N2 O	c1ccc(c(c1....
93	6HWT	-	GXH	C31 H28 F N5 O3 S	COc1ccc(c(....
94	4EH8	-	IRG	C17 H16 N4	c1ccc(cc1)....
95	5R8V	-	SLV	C11 H15 N O2	CCCc1ccc(c....
96	5RA4	-	SVG	C14 H13 Cl N2	C/C(=NCc1c....
97	3GCP	Kd = 15 nM	SB2	C21 H16 F N3 O S	C[S@](=O)c....
98	3HLL	Ki = 0.0058 uM	I45	C22 H19 Br F2 N2 O3	Cc1ccc(cc1....
99	1ZZL	ic50 = 5 nM	TZY	C18 H15 F N4 O	CC(C)c1nnc....
100	2RG6	ic50 = 2.2 nM	287	C25 H26 N6 O3	Cc1ccc(cc1....
101	6Y80	-	SB4	C18 H19 F N6	c1cc(ccc1c....
102	3MPT	ic50 = 0.25 uM	1GK	C18 H16 N2 O3	Cc1ccccc1C....
103	5OMG	-	9Y8	C16 H12 F N3 O2 S	CN1c2c([nH....
104	1BL6	-	SB6	C18 H16 F N3	c1cc(ccc1c....
105	3NNW	ic50 = 9 nM	EDD	C22 H23 Cl2 N5 O2	CC(C)(C)C1....
106	3GI3	Kd < 1.8 nM	B10	C33 H39 N5 O5 S	CC(C)(C)c1....
107	3K3J	-	I46	C14 H9 F2 N3	c1cc(ccc1c....
108	3HEC	Kd = 34 uM	STI	C29 H31 N7 O	Cc1ccc(cc1....
109	1IAN	-	D13	C21 H16 I N3 O S	C[S@@](=O)....
110	3FC1	-	52P	C19 H9 Cl2 F2 N3 O S	c1cc(c(c(c....
111	3MVM	ic50 = 3.9 nM	39P	C22 H23 N7 O3	CCCNC(=O)c....
112	3NNU	ic50 = 48 nM	EDB	C22 H17 Cl2 N5 O2 S	c1cc(cc(c1....
113	1W7H	ic50 > 1 mM	3IP	C12 H12 N2 O	c1ccc(cc1)....
114	5R9X	-	NZ4	C13 H16 N2 O3	CC(=O)c1cc....
115	3U8W	ic50 = 1 nM	09J	C24 H21 Cl F N5 O2	CCN1C(=O)C....
116	1WBS	ic50 = 0.63 uM	LI2	C26 H25 F N4 O2	c1cc2c(cc1....
117	5R9M	-	A7K	C13 H21 N2 O	c1ccc(c(c1....
118	4E6C	Kd ~ 15 uM	0O8	C25 H53 N O4 P	CCCCCCCCCC....
119	5N68	-	8OK	C26 H27 N5 O	c1ccc(cc1)....
120	1WBV	ic50 = 162 uM	LI3	C19 H18 F N3 O2	c1cc2c(cc[....
121	5RA3	-	SVD	C8 H16 N2 O2	CC(C)(C)[C....
122	5R98	-	SQG	C10 H7 F3 N2 O2	c1cc(ccc1N....
123	5RA8	-	2O6	C8 H5 F3 N2 O	c1cc2c(cc1....
124	5R9J	-	LXS	C15 H16 N2 O4	CCN1C(=O)C....
125	4EH2	-	IRG	C17 H16 N4	c1ccc(cc1)....
126	3HA8	-	5JZ	C36 H38 N8 O5	CCOc1nc(nc....
127	6Y7W	Kd = 57.8 uM	OFW	C26 H35 N5 O6 S	C[C@@]1(CN....
128	3HEG	Kd = 0.18 uM	BAX	C21 H16 Cl F3 N4 O3	CNC(=O)c1c....
129	2ZAZ	Ki = 0.4 uM	GK1	C20 H15 N3 O2 S	Cc1ccc(cc1....
130	5R9R	-	K3D	C9 H17 N3 O2	CCNC(=O)N1....
131	3HP5	-	I46	C14 H9 F2 N3	c1cc(ccc1c....
132	5ML5	ic50 = 10 nM	1VI	C26 H25 F N4 O3 S	COc1ccc(c(....
133	5R93	-	SOJ	C12 H12 N2	c1ccc(cc1)....
134	4DLI	Kd = 2.4 uM	IRG	C17 H16 N4	c1ccc(cc1)....
135	3P78	ic50 = 0.11 uM	P78	C24 H27 N3 O4 S2	CC(C)(C)c1....
136	5R9Y	-	SU7	C15 H18 N2 O	c1ccc(cc1)....
137	4EH9	-	IRG	C17 H16 N4	c1ccc(cc1)....
138	1YWR	ic50 = 32 nM	LI9	C27 H29 F N6 O	C[C@@H](c1....
139	3IW5	Kd = 0.839 uM	DF3	C28 H24 F3 N3 O4 S	c1ccc2c(c1....
140	5R9C	-	7ZC	C12 H16 N2 O	CN(C)Cc1c[....
141	3HV3	ic50 = 900 nM	R49	C30 H31 N7 O	Cc1cccc(c1....
142	6HWV	ic50 = 115 nM	GEW	C32 H28 F2 N6 O3	Cn1c(c(nc1....
143	5R8U	-	SLS	C10 H11 N O2	c1cc2c(cc1....
144	4A9Y	-	AQZ	C32 H37 N7 O4	Cc1ccc(cc1....
145	5R9Q	-	LVD	C8 H10 N2 O2	c1ccc(cc1)....
146	3GCU	-	R48	C29 H30 N8 O	Cc1ccc(cc1....
147	1OUY	ic50 = 4.3 nM	094	C24 H18 Cl2 F2 N4 O S	c1cc(c(c(c....
148	5R9L	-	SRJ	C18 H25 N O2	c1ccc(cc1)....
149	3D7Z	Ki = 12 nM	GK5	C22 H24 N2 O2	Cc1ccc(cc1....
150	2YIS	-	YIS	C35 H34 Cl N7 O3 S2	CC(C)(C)c1....
151	1OUK	ic50 = 0.13 nM	084	C28 H29 F3 N6	C[C@@H](c1....
152	6YCW	-	OL8	C15 H10 N2 O4	c1cc(cc(c1....
153	3BV2	ic50 = 0.44 nM	P38	C33 H32 N8 O3	Cc1ccc(cc1....
154	4R3C	-	GG5	C14 H10 F N3	c1cc(ccc1c....
155	4L8M	ic50 = 0.001 uM	F46	C33 H30 F N3 O5	c1ccc(cc1)....
156	4E6A	-	0O9	C32 H65 O10 P	CCCCCCCCCC....
157	1WBN	ic50 = 0.35 uM	L09	C20 H22 Cl N5 O2	CC(C)(C)c1....
158	6ZWR	ic50 = 21.7 nM	OEB	C34 H39 N7 O3	c1ccc(cc1)....
159	2QD9	ic50 = 13 nM	LGF	C27 H24 F2 N6 O5	COc1c(cc2c....
160	3HUC	Kd = 1030 nM	G97	C20 H16 N6 O	C=CC(=O)Nc....
161	3HL7	Ki = 0.023 uM	I47	C20 H20 Cl N5 O2	c1cc(ccc1c....
162	4EHV	-	IRG	C17 H16 N4	c1ccc(cc1)....
163	5R95	-	SQ4	C10 H8 N2 O2	c1cc(ccc1N....
164	2GTN	ic50 = 4 nM	LIE	C20 H16 F3 N5 O	CC(C)n1c2c....
165	3HRB	ic50 = 21 nM	I39	C19 H14 F2 N2 O2	Cc1ccccc1c....
166	3BX5	ic50 = 3.5 nM	304	C17 H22 N4 O2 S	CC[C@@H](C....
167	5R9V	-	SSY	C10 H8 F3 N O2	CC(=O)c1cc....
168	3HVC	ic50 = 600 nM	GG5	C14 H10 F N3	c1cc(ccc1c....
169	2GFS	ic50 = 0.7 uM	PQB	C19 H18 F N3 O4	c1cc(cc(c1....
170	5N63	-	8OW	C21 H17 F N4	c1ccc(cc1)....
171	2NPQ	Kd = 3.08 uM	BOG	C14 H28 O6	CCCCCCCCO[....
172	3IW6	Kd = 3.29 uM	PP0	C23 H31 N3 O3	CCn1c(c(c(....
173	3S4Q	ic50 = 4 nM	NK0	C25 H23 N5 O2	Cc1ccc(cc1....
174	2BAJ	Kd = 4 nM	1PP	C20 H20 Cl2 N4 O	CC(C)(C)c1....
175	3ROC	-	29B	C14 H10 F N3	c1cc(ccc1c....
176	5RA7	-	SW7	C8 H9 N O	Cc1ccc(cc1....
177	5R8Z	-	SN4	C7 H8 N2 O S	COc1ccc(cn....
178	5R9D	-	N9J	C8 H9 N O3	c1ccc(cc1)....
179	5R9P	-	SFY	C11 H11 N3 O2 S	c1ccnc(c1)....
180	3NWW	ic50 = 7 nM	3NW	C24 H34 N8 O S	CCNC(=O)NC....
181	1W83	ic50 = 0.065 uM	L11	C23 H25 Cl F N3 O3	c1cc(cnc1)....
182	3ZSH	-	469	C27 H30 Cl F N4 O3	C[C@@H]1C[....
183	3IPH	Ki = 0.0000251 mM	G11	C21 H23 N3 O2	Cc1ccc(cc1....
184	5MZ3	ic50 = 0.0002 uM	8EN	C24 H19 F3 N4 O2	Cc1ccc(cc1....
185	5R9W	-	STV	C10 H13 N O4 S	CCS(=O)(=O....
186	3P7B	ic50 = 0.018 uM	P7B	C25 H28 N4 O3 S	CC(C)(C)c1....
187	5RA1	-	PO6	C8 H9 N O2	c1ccc(cc1)....
188	3GCQ	Kd = 342 nM	1BU	C29 H30 N8 O	Cc1cccc(c1....
189	5RA5	-	SVJ	C8 H16 N2	CN1[C@@H]2....
190	5R9E	-	S7S	C7 H13 N5 O	CCCC(=O)Nc....
191	4F9Y	Ki = 184 nM	LM3	C21 H18 N4	CN(C)c1cc(....
192	5R92	-	SO7	C14 H18 N2 O4	CN(C(=O)[C....
193	2BAL	Kd = 490 nM	PQA	C21 H21 F N4 O2	c1cc(cc(c1....
194	3HUB	Kd = 8.2 nM	469	C27 H30 Cl F N4 O3	C[C@@H]1C[....
195	4F9W	Ki = 114 nM	LM4	C21 H18 N4	CN(C)c1cc(....
196	3P5K	ic50 = 0.076 uM	P5K	C24 H27 N3 O4 S2	CC(C)(C)c1....
197	2I0H	ic50 = 9 nM	222	C27 H19 Cl2 F N4 O3	c1ccc2c(c1....
198	5R9F	-	SQP	C13 H11 N O2	c1ccc(c(c1....
199	1ZYJ	ic50 = 1.5 uM	BI5	C19 H16 N2 O2	c1ccc(cc1)....
200	6Y7X	-	OFQ	C11 H19 N O	C1C2CC3CC1....
201	3K3I	-	JZJ	C18 H16 Br N3	c1ccc2c(c1....
202	1WBT	ic50 = 0.34 uM	WBT	C26 H25 F N4 O2	c1cc(cc2c1....
203	1BMK	-	SB5	C17 H16 F N5	c1cc(ccc1c....
204	3E92	Ki = 10 nM	G6A	C21 H21 N3 O2	Cc1ccc(cc1....
205	3P7A	ic50 = 0.52 uM	P7A	C23 H27 N3 O3 S2	CC(C)(C)c1....
206	6ANL	ic50 = 240 nM	T75	C24 H21 N3 O S	CCc1nc(c(s....
207	3NNX	ic50 = 11 nM	EDD	C22 H23 Cl2 N5 O2	CC(C)(C)C1....
208	4EH4	-	IRG	C17 H16 N4	c1ccc(cc1)....
209	1KV1	Kd = 1.16 uM	BMU	C15 H19 Cl N4 O	CC(C)(C)c1....
210	5R9U	-	JMM	C13 H16 N2 O3	c1cc(oc1)C....
211	3KF7	ic50 = 40 nM	L9G	C22 H18 F2 N4 O	Cc1ccc(cc1....
212	4KIN	ic50 = 4.8 nM	1M8	C22 H19 Cl N2 O2 S	Cc1ccc(cc1....
213	5R9N	-	JFS	C14 H12 N2 O	c1ccc2c(c1....
214	4AA4	ic50 = 9 nM	QC0	C25 H25 N5 O3	Cc1ccc(cc1....
215	5RA9	-	SWD	C6 H3 Cl N2 S	c1csc2c1nc....
216	5XYY	ic50 = 9.221 uM	P0F	C15 H12 Cl F N4 O	c1cc(cc(c1....
217	5R97	-	RUY	C7 H12 N4 O	C1CCN(CC1)....
218	3E93	Ki = 1.4 nM	19B	C30 H32 N4 O3	Cc1ccc(cc1....
219	5R9O	-	54F	C11 H10 N2 O	c1ccnc(c1)....
220	4AAC	ic50 = 6.7 nM	AAV	C24 H24 N6 O3	Cc1ccc(cc1....
221	4AA0	ic50 = 35 nM	AA0	C30 H33 N7 O3	Cc1ccc(cc1....
222	1OZ1	ic50 = 6.5 nM	FPH	C18 H12 F N3 O	c1cc2c(c(c....
223	5N64	-	8OH	C19 H16 N4 S	c1ccc(cc1)....
224	3IW8	Kd = 13.4 uM	HIZ	C19 H18 Cl F N4 O2 S	c1ccc(cc1)....
225	3GC8	-	B45	C28 H27 Cl3 F N3 O	CC(C)N1CCC....
226	3GC9	-	B45	C28 H27 Cl3 F N3 O	CC(C)N1CCC....
227	4EYM	-	0RX	C21 H20 N4 O3	c1cc(ccc1N....
228	5EKO	ic50 = 15785 nM	N17	C22 H18 N4 O2	Cc1cn(cn1)....
229	4EYJ	-	N61	C20 H23 N5 O2	CC(C)(C)c1....
230	1CM8	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....

50% Homology Family (232)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 7 families.
1	5R8X	-	SLY	C13 H13 N O	c1ccc(cc1)....
2	3GCV	Kd = 74 nM	SS6	C29 H30 N8 O	Cc1cccc(c1....
3	3L8S	Kd = 99 nM	BFF	C20 H24 Br F2 N5 O3 S	c1c(cc(c(c....
4	6Y7Y	-	OFQ	C11 H19 N O	C1C2CC3CC1....
5	3RIN	ic50 = 1.3 nM	I2O	C23 H24 N2 O2	Cc1ccc(cc1....
6	5N65	-	8OT	C20 H18 N4 S	c1ccc(cc1)....
7	4FA2	-	SB0	C20 H21 F N4 O2	COc1nccc(n....
8	5R9B	-	JGM	C11 H15 N3 O3	CC(=O)N[C@....
9	2GHM	-	LIC	C24 H28 Cl N5 O3	C[C@@H](C(....
10	5RA0	-	JFS	C14 H12 N2 O	c1ccc2c(c1....
11	1W84	ic50 = 35 uM	L12	C15 H14 N2	c1ccc2c(c1....
12	6M95	ic50 = 140 nM	J8S	C21 H25 N O2 S	COc1cc(ccc....
13	4EH5	-	IRG	C17 H16 N4	c1ccc(cc1)....
14	5R9K	-	SR4	C11 H10 O3	c1ccc2c(c1....
15	2BAK	Kd = 37 nM	AQZ	C32 H37 N7 O4	Cc1ccc(cc1....
16	3HV6	ic50 = 5500 nM	R39	C27 H35 N5 O3	Cc1ccc(cc1....
17	5R9G	-	RGY	C12 H17 N3 O2	Cc1c2c(on1....
18	3HP2	-	P36	C19 H16 Br N O2	c1ccc(cc1)....
19	6M9L	ic50 = 29 nM	J9G	C19 H14 F2 N4 O	c1ccc(cc1)....
20	6YCU	-	OKZ	C13 H14 N2 O4 S	CCCNS(=O)(....
21	1WBO	ic50 > 1 mM	2CH	C6 H5 Cl O	c1ccc(c(c1....
22	4KIQ	ic50 = 23 nM	1RA	C23 H23 N3 O4	CCOC(=O)n1....
23	3GC7	ic50 = 0.4 nM	B45	C28 H27 Cl3 F N3 O	CC(C)N1CCC....
24	4EH6	-	IRG	C17 H16 N4	c1ccc(cc1)....
25	5MTX	Kd = 17.7 nM	FJI	C34 H31 F N4 O5	c1ccc(cc1)....
26	2ZB0	Ki = 0.24 uM	GK3	C24 H18 N4 O2	Cc1ccc(cc1....
27	2GTM	ic50 = 542 nM	LID	C19 H15 Cl F2 N6	CCn1c2c(cn....
28	5N66	-	B96	C31 H37 N5 O3	Cc1ccc(cc1....
29	6Y81	Kd = 25.1 uM	OG5	C29 H35 N5 O5 S	c1ccc(cc1)....
30	5R94	-	SOV	C12 H8 N2 O2	Cc1ccc(cc1....
31	2YIX	Kd = 3.3 nM	YIX	C19 H23 N5 O S	CCNC(=O)NC....
32	3OCG	ic50 = 3 nM	OCG	C21 H18 N6 O3	Cc1ccc(cc1....
33	1BL7	-	SB4	C18 H19 F N6	c1cc(ccc1c....
34	5R99	-	SU7	C15 H18 N2 O	c1ccc(cc1)....
35	6YJC	ic50 = 81.3 nM	OSZ	C32 H41 N7 O3	c1ccc(cc1)....
36	3P7C	ic50 = 0.022 uM	P7C	C25 H33 Cl2 N5 O3 S	CC(C)(C)c1....
37	5RA2	-	SV4	C11 H17 N3	Cc1cccnc1N....
38	5R90	-	SNJ	C15 H12 N2 O	c1ccc(cc1)....
39	6Y6V	-	OE5	C32 H33 N7 O2	Cc1ccc(cc1....
40	5TBE	Kd = 4.4 nM	78L	C33 H30 F2 N4 O4 S	c1cc(sc1)C....
41	4KIP	ic50 = 7 nM	1R9	C21 H18 Cl N3 O2 S	Cc1ccc(cc1....
42	5R8Y	-	SMV	C5 H5 N S2	c1cc(sc1)C....
43	2EWA	-	SB2	C21 H16 F N3 O S	C[S@](=O)c....
44	2GHL	-	LIB	C23 H26 Cl N5 O3	C[C@@H](C(....
45	1ZZ2	ic50 = 6 uM	B11	C24 H26 F N3 O4 S	c1ccc(c(c1....
46	5R9H	-	SQV	C10 H13 N O3	C[C@@H](c1....
47	3ZSI	-	52P	C19 H9 Cl2 F2 N3 O S	c1cc(c(c(c....
48	2YIW	-	YIW	C30 H33 N7 O S	CC(C)c1nnc....
49	5WJJ	ic50 = 5.4 nM	AQY	C25 H19 F N6 O2	Cc1cc(ccc1....
50	1A9U	-	SB2	C21 H16 F N3 O S	C[S@](=O)c....
51	6ZWP	ic50 = 22.1 nM	OE8	C34 H37 F N6 O3	c1ccc(cc1)....
52	1M7Q	ic50 = 2.6 nM	DQO	C24 H20 Cl2 F2 N4 O	c1cc(c(c(c....
53	5R91	-	SNV	C12 H19 N3 O	c1ccc(c(c1....
54	5MTY	Kd = 1.3 nM	HB9	C29 H23 F2 N3 O4 S	c1cc(sc1)C....
55	6HWU	ic50 = 54.7 nM	GE5	C31 H26 F N5 O3 S	COc1ccc(c(....
56	4EH7	-	IRG	C17 H16 N4	c1ccc(cc1)....
57	1YQJ	Ki = 7.3 nM	6NP	C30 H27 N5	c1ccc(cc1)....
58	4EH3	-	NAR	C15 H12 O5	c1cc(ccc1[....
59	5R9I	-	SQY	C15 H14 Br N O2	COC(=O)[C@....
60	4AA5	ic50 = 16 nM	NQB	C24 H27 N5 O2	Cc1ccc(cc1....
61	1OVE	ic50 = 0.74 nM	358	C26 H22 Cl2 F2 N2 O	c1cc(c(c(c....
62	3UVP	ic50 = 0.035 uM	048	C24 H21 F N2 O2	c1ccc(cc1)....
63	5N67	-	8ON	C28 H30 N6 O	CC(=O)N1CC....
64	3NNV	ic50 = 27 nM	437	C25 H26 N4 O2	CC(C)(C)c1....
65	3CTQ	ic50 = 40 nM	337	C30 H34 N6 O5 S	Cc1ccc(cc1....
66	5R9T	-	6T5	C13 H16 N4 O	CC1=NNC(=O....
67	5R96	-	SQ7	C9 H5 Cl N2 O2	c1cc(ccc1N....
68	3IW7	-	IPK	C26 H26 N4 O S	c1ccc(cc1)....
69	3ITZ	ic50 = 1.4 nM	P66	C21 H15 Cl F2 N6 O	c1cc(c(c(c....
70	2ZB1	Ki = 0.48 uM	GK4	C21 H21 N3 O2	Cc1ccc(cc1....
71	3HV5	ic50 = 150 nM	R24	C30 H29 N7 O3	Cc1ccc(cc1....
72	1WBW	ic50 = 44 uM	LI4	C16 H14 N2 O	c1ccc2c(c1....
73	3P79	ic50 = 2.3 uM	P79	C24 H29 N5 O4 S	CC(C)(C)c1....
74	3HV7	Kd ~ 12 nM	1AU	C24 H25 N5 O	CC(C)(C)c1....
75	3GFE	ic50 = 3.2 nM	P37	C24 H21 F2 N5 O2	Cc1ccc(cc1....
76	3ZYA	-	2A8	C21 H18 N2 O	c1ccc2c(c1....
77	2RG5	ic50 = 3.1 nM	279	C19 H22 N6 O3	CCNC(=O)c1....
78	3L8X	ic50 = 10 nM	N4D	C20 H18 N6 O	Cc1ccc(cc1....
79	5R9A	-	SQM	C12 H12 N4 O2	Cn1c(c(cn1....
80	5R9S	-	A9B	C11 H9 Cl N2 O2	c1cc(ccc1c....
81	5OMH	-	9Y5	C16 H12 Cl N3 O2 S	Cc1c2c(n(n....
82	5R8W	-	JND	C8 H8 N2 O S	CCc1cc2c(s....
83	5RA6	-	SVM	C15 H21 N3 S	c1ccnc(c1)....
84	3GCS	Kd = 56 nM	BAX	C21 H16 Cl F3 N4 O3	CNC(=O)c1c....
85	6OHD	ic50 = 0.42 nM	MKP	C21 H21 N5 O3	Cc1ccc(cc1....
86	3ZS5	-	SB2	C21 H16 F N3 O S	C[S@](=O)c....
87	3D83	Ki = 4.4 nM	GK6	C28 H30 N4 O3	Cc1ccc(cc1....
88	1YW2	ic50 = 141 nM	PGJ	C22 H18 F N3 O5	CCOC[N@]1C....
89	1W82	ic50 = 196 nM	L10	C20 H21 Cl N4 O	CC(C)(C)C1....
90	3ZSG	-	T75	C24 H21 N3 O S	CCc1nc(c(s....
91	5TCO	Kd = 3.14 nM	79Q	C35 H33 F N4 O4	c1ccc(cc1)....
92	5R9Z	-	AYS	C13 H11 Cl N2 O	c1ccc(c(c1....
93	6HWT	-	GXH	C31 H28 F N5 O3 S	COc1ccc(c(....
94	4EH8	-	IRG	C17 H16 N4	c1ccc(cc1)....
95	5R8V	-	SLV	C11 H15 N O2	CCCc1ccc(c....
96	5RA4	-	SVG	C14 H13 Cl N2	C/C(=NCc1c....
97	3GCP	Kd = 15 nM	SB2	C21 H16 F N3 O S	C[S@](=O)c....
98	3HLL	Ki = 0.0058 uM	I45	C22 H19 Br F2 N2 O3	Cc1ccc(cc1....
99	1ZZL	ic50 = 5 nM	TZY	C18 H15 F N4 O	CC(C)c1nnc....
100	2RG6	ic50 = 2.2 nM	287	C25 H26 N6 O3	Cc1ccc(cc1....
101	6Y80	-	SB4	C18 H19 F N6	c1cc(ccc1c....
102	3MPT	ic50 = 0.25 uM	1GK	C18 H16 N2 O3	Cc1ccccc1C....
103	5OMG	-	9Y8	C16 H12 F N3 O2 S	CN1c2c([nH....
104	1BL6	-	SB6	C18 H16 F N3	c1cc(ccc1c....
105	3NNW	ic50 = 9 nM	EDD	C22 H23 Cl2 N5 O2	CC(C)(C)C1....
106	3GI3	Kd < 1.8 nM	B10	C33 H39 N5 O5 S	CC(C)(C)c1....
107	3K3J	-	I46	C14 H9 F2 N3	c1cc(ccc1c....
108	3HEC	Kd = 34 uM	STI	C29 H31 N7 O	Cc1ccc(cc1....
109	1IAN	-	D13	C21 H16 I N3 O S	C[S@@](=O)....
110	3FC1	-	52P	C19 H9 Cl2 F2 N3 O S	c1cc(c(c(c....
111	3MVM	ic50 = 3.9 nM	39P	C22 H23 N7 O3	CCCNC(=O)c....
112	3NNU	ic50 = 48 nM	EDB	C22 H17 Cl2 N5 O2 S	c1cc(cc(c1....
113	1W7H	ic50 > 1 mM	3IP	C12 H12 N2 O	c1ccc(cc1)....
114	5R9X	-	NZ4	C13 H16 N2 O3	CC(=O)c1cc....
115	3U8W	ic50 = 1 nM	09J	C24 H21 Cl F N5 O2	CCN1C(=O)C....
116	1WBS	ic50 = 0.63 uM	LI2	C26 H25 F N4 O2	c1cc2c(cc1....
117	5R9M	-	A7K	C13 H21 N2 O	c1ccc(c(c1....
118	4E6C	Kd ~ 15 uM	0O8	C25 H53 N O4 P	CCCCCCCCCC....
119	5N68	-	8OK	C26 H27 N5 O	c1ccc(cc1)....
120	1WBV	ic50 = 162 uM	LI3	C19 H18 F N3 O2	c1cc2c(cc[....
121	5RA3	-	SVD	C8 H16 N2 O2	CC(C)(C)[C....
122	5MOV	-	HC4	C9 H8 O3	c1cc(ccc1C....
123	5MOH	-	YTX	C9 H10 O4	COc1cc(ccc....
124	6JWA	ic50 = 10.9 uM	5ID	C11 H13 I N4 O4	c1c(c2c(nc....
125	6HNW	ic50 = 200 nM	CUE	C15 H8 O5	c1cc2c(cc1....
126	5CSH	Kd = 270 uM	54E	C13 H12 Cl N	c1ccc(cc1)....
127	7A49	ic50 = 3.26 uM	QWN	C5 H2 Br Cl N4	c1c2c(nc(c....
128	5OTL	-	AQT	C25 H26 Cl N3 O	CCc1ccccc1....
129	5ORK	Kd = 234 uM	A4T	C13 H11 Cl F N	c1ccc(c(c1....
130	7A4B	ic50 = 2.56 uM	QXW	C5 H2 Br2 N4	c1c2c(nc(c....
131	6GDM	-	F3Z	C33 H33 N9 O2	c1cnc(nc1)....
132	4XP3	-	DX4	C5 H5 N5 S	c1[nH]c2c(....
133	6QAQ	-	HVQ	C5 H8 N S	c1cscc1C[N....
134	4O6E	ic50 = 1 nM	2SH	C21 H25 Cl F N5 O3	c1cc(c(cc1....
135	5NHJ	ic50 = 0.00539 uM	8XE	C18 H21 N7 O2	Cn1c(ccn1)....
136	4QYY	Kd = 0.05 uM	3G7	C25 H29 Cl N4 O4	CC(=O)c1cc....
137	6QAG	-	HUH	C2 H3 N3	c1cnn[nH]1
138	4I5H	Ki < 2 nM	G17	C26 H21 F3 N4 O	Cc1ccc(cc1....
139	6G93	ic50 = 11 nM	EU2	C17 H17 Cl N4 O2	c1cc2c(cc1....
140	4QTE	Kd = 0.084 uM	390	C24 H20 Cl2 F N5 O2	Cc1cnc(nc1....
141	4XNE	-	TT4	C8 H9 N5	c1ccc(cc1)....
142	3QYW	-	6PB	C11 H8 Br N5	c1cc(cc(c1....
143	5BUE	ic50 = 0.003 uM	4V8	C23 H21 N5 O	c1ccc(cc1)....
144	6GE0	ic50 = 2.1 nM	EVQ	C28 H30 Cl N5 O4	C[C@H](c1c....
145	6G9N	ic50 = 3 nM	ESN	C29 H32 Cl N5 O4	Cc1cccc(c1....
146	2Z7L	-	S91	C20 H19 N5 O3	Cc1cccc(c1....
147	6QAW	-	HVE	C12 H18 N5	c1c[nH]c2c....
148	4ZXT	-	CAQ	C6 H6 O2	c1ccc(c(c1....
149	1WZY	ic50 = 0.56 uM	F29	C21 H17 N7	C=CCn1c2c(....
150	6DMG	-	EK6	C27 H26 Cl2 F N5 O4	CCOC(=O)CN....
151	5NHH	ic50 < 0.00113 uM	8XH	C19 H25 N5 O3	COCCN1CCc2....
152	6OPH	-	6QB	C21 H18 Cl F N6 O2	Cn1c(ccn1)....
153	6G9H	ic50 = 4 nM	ERW	C24 H30 Cl N5 O3	CC(C)(C)N(....
154	4N4S	-	2H1	C25 H24 N6 O	Cc1cc(cc2c....
155	4QP8	ic50 = 0.28 uM	362	C14 H10 N6	c1cc(cnc1)....
156	6SLG	Kd = 0.000000064 M	LHZ	C24 H24 F2 N8 O2	Cc1cnc(nc1....
157	4QP4	-	36O	C11 H15 N5	c1[nH]c2c(....
158	6G9D	ic50 = 4.3 nM	ER8	C23 H28 Cl N5 O3	CC(C)(C)NC....
159	6GJB	ic50 = 0.008 uM	F0H	C35 H34 Cl F N6 O4	c1cc(c(cc1....
160	6G91	ic50 = 3200 nM	EQW	C9 H12 Cl N3 O	c1c(cnc(n1....
161	6G8X	-	EQT	C7 H6 Cl N3	c1cc2c(c(c....
162	6DCG	ic50 = 7 nM	G67	C37 H41 N9 O3 S	CC(C)Oc1cc....
163	4QP9	ic50 = 0.071 uM	35X	C17 H16 N6	CCCn1cc(cn....
164	5BVE	ic50 = 0.01 nM	4VG	C25 H28 Cl N5 O3	c1cc(cc(c1....
165	6Q7S	-	IPH	C6 H6 O	c1ccc(cc1)....
166	5KE0	-	6S9	C20 H18 N6 O	Cc1cc(ccn1....
167	6CPW	ic50 = 5.6 nM	F8V	C35 H35 F N8 O2 S	CS[C@]1(CC....
168	4XOY	-	DX4	C5 H5 N5 S	c1[nH]c2c(....
169	6G9K	-	ESK	C27 H28 Cl N5 O4	c1ccc(cc1)....
170	3QYZ	-	Z8B	C10 H11 Br N8 O3	c1nc(c2c(n....
171	5BVF	ic50 = 0.19 nM	4VJ	C25 H28 Cl N5 O3	c1cc(cc(c1....
172	6G9M	ic50 = 7.9 nM	ESW	C28 H30 Cl N5 O3	CC(C)(c1cc....
173	6QAH	-	HVB	C3 H9 N2	CCC(=[NH2+....
174	6QA3	-	PZO	C3 H4 N2	c1c[nH]nc1
175	4XOZ	-	620	C15 H16 N6 O	c1ccc(cc1)....
176	5HD7	-	38Z	C33 H33 N9 O2	c1cnc(nc1)....
177	4XRJ	-	620	C15 H16 N6 O	c1ccc(cc1)....
178	2OJJ	Ki = 0.002 uM	82A	C22 H17 Cl2 F N4 O2	c1cc(cc(c1....
179	6Q7K	-	2AI	C3 H5 N3	c1cnc([nH]....
180	4QTA	Kd = 0.233 uM	38Z	C33 H33 N9 O2	c1cnc(nc1)....
181	6RQ4	-	KE8	C22 H27 N7 O2 S	CC1(c2c(cc....
182	5NHO	ic50 < 0.0003 uM	8XN	C20 H25 N7 O2	Cc1cnc(nc1....
183	2OJG	Ki = 2.3 uM	19A	C16 H16 N4 O	CN(C)C(=O)....
184	3TTI	ic50 = 0.006 uM	KBI	C21 H23 F3 N6 O2	c1c(cc(c(c....
185	3TTJ	ic50 = 0.21 uM	JBI	C23 H23 F N6 O	COc1ccc(cc....
186	4H3B	Kd = 17.2 uM	VAL VAL ARG PRO GLY SER LEU ASP LEU PRO	n/a	n/a
187	3KVX	ic50 = 0.148 uM	FMY	C26 H27 F N8 O2	c1cc(ccc1/....
188	4H39	Kd = 0.8 uM	PRO LYS ARG PRO THR THR LEU ASN LEU PHE	n/a	n/a
189	4AWI	ic50 = 1 uM	AQ2	C21 H25 N3 O4 S2	CC(C)c1cc2....
190	2O0U	ic50 = 3.2 uM	C0M	C27 H28 N4 O2 S	c1ccc2c(c1....
191	2P33	ic50 = 57 nM	J07	C20 H23 Cl N6 O	CCNC(=O)N1....
192	2ZDU	-	446	C28 H23 Br N2 O6	COC(=O)C1=....
193	2B1P	ic50 = 3 nM	AIZ	C26 H26 Cl N5 O3	CN(C)CCCC(....
194	2OK1	Ki = 0.55 uM	33A	C21 H17 Cl N4 O	c1ccc(cc1)....
195	3OXI	ic50 = 2.2 uM	SYY	C12 H11 N O3 S2	COC(=O)c1c....
196	3OY1	ic50 = 0.016 uM	589	C28 H31 N5 O2	c1ccc2cc(c....
197	6EMH	ic50 = 833 nM	BGE	C19 H21 N5 O	Cc1c([nH]c....
198	2ZDT	-	46C	C26 H20 Cl N O4	CCC(=O)C1=....
199	3ELJ	-	GS7	C22 H21 F N6 O4 S	COc1cc(ccc....
200	3FI2	ic50 = 0.025 uM	JK1	C26 H25 N5 O5	COc1cc(cc(....
201	4L7F	ic50 = 160 nM	1V5	C26 H26 F N5 O2	c1cc(ccc1C....
202	6EQ9	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
203	2WAJ	ic50 = 0.398 uM	SNB	C16 H13 Br Cl N O	COc1cc2c(c....
204	4QTD	ic50 = 1080 nM	38Z	C33 H33 N9 O2	c1cnc(nc1)....
205	6EKD	ic50 = 184 nM	B9K	C20 H23 N5 O S	Cc1c([nH]c....
206	3G9L	Ki = 0.74 uM	J67	C25 H19 F N2 O4	c1ccc(cc1)....
207	4Y46	ic50 = 11 nM	4F2	C22 H32 N6 O2	CC(C)NC(=O....
208	1PMN	ic50 = 7.1 nM	984	C25 H30 Cl2 N6	CCCn1c(c(n....
209	3FI3	ic50 = 12 nM	JK2	C29 H25 F N4 O4	COc1cc(cc(....
210	2O2U	ic50 = 0.4 uM	738	C16 H13 F N2 O S	c1ccc(c(c1....
211	4W4V	ic50 = 866 nM	3H8	C23 H19 Cl N6 O2	Cc1cc(ccn1....
212	3GC8	-	B45	C28 H27 Cl3 F N3 O	CC(C)N1CCC....
213	5M56	-	7FC	C16 H8 Cl2 O5	c1cc(ccc1C....
214	5M4U	-	7FC	C16 H8 Cl2 O5	c1cc(ccc1C....
215	6HMD	-	GDW	C21 H24 N2 O2	CCN(CC)CCn....
216	6HMQ	-	4B0	C9 H7 Br4 N3 O	C(Cn1c2c(c....
217	2PVM	Ki = 0.36 uM	P29	C17 H15 N9	c1ccc(cc1)....
218	1J91	-	TBS	C6 H Br4 N3	c12c(c(c(c....
219	3FL5	-	TXQ	C14 H8 O6	c1cc(c(c2c....
220	3PWD	Ki = 0.22 uM	CZ0	C14 H9 N O5	CC1=CC(=O)....
221	4ZSL	-	4QZ	C17 H17 Cl N6 O	C[C@@H](c1....
222	6K3L	Kd = 60.1 nM	3NG	C19 H12 Cl N3 O2	c1cc(cc(c1....
223	2F9G	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
224	2B9F	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
225	5AWM	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
226	4EYM	-	0RX	C21 H20 N4 O3	c1cc(ccc1N....
227	5EKO	ic50 = 15785 nM	N17	C22 H18 N4 O2	Cc1cn(cn1)....
228	4QTB	Kd = 0.213 uM	38Z	C33 H33 N9 O2	c1cnc(nc1)....
229	2ZOQ	ic50 = 0.9 uM	5ID	C11 H13 I N4 O4	c1c(c2c(nc....
230	6GES	-	EWH	C24 H26 Cl N7 O	CN1CCN(CC1....
231	3NPC	-	B96	C31 H37 N5 O3	Cc1ccc(cc1....
232	6XX7	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: 0RX; Similar ligands found: 4

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	0RX	1	1
2	N17	0.477778	0.655172
3	GK6	0.47	0.758065
4	AA0	0.410714	0.731343

Similar Ligands (3D)

Ligand no: 1; Ligand: 0RX; Similar ligands found: 2

No:	Ligand	Similarity coefficient
1	4V8	0.9003
2	3X7	0.8820

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

Pocket No.: 1; Query (leader) PDB : 5EKO; Ligand: N17; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 1) in the query (biounit: 5eko.bio1) has 24 residues
No:	Leader PDB	Ligand	Sequence Similarity

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