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Showing PDB: 5FSL

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Receptor | Ligand | View in 3D

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

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      Structure Biounit | Ligand Information

PDB           : .ZIP | .CSV

Family 90% : .ZIP | .CSV

Class         : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
5FSL	1.25 Å	EC: 3.6.1.55	MTH1 SUBSTRATE RECOGNITION: COMPLEX WITH A METHYLAMINOPURINO	HOMO SAPIENS	HYDROLASE NUDT1
Ref.:	MTH1 SUBSTRATE RECOGNITION--AN EXAMPLE OF SPECIFIC PROMISCUITY. PLOS ONE V. 11 51154 2016

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
SO4	A:1158;	Invalid;	none;	submit data		96.063	O4 S	[O-]S...
UAN	A:1157;	Valid;	none;	Kd = 24 uM		179.179	C7 H9 N5 O	CNC1=...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
6US2	1.8 Å	EC: 3.6.1.55	MTH1 IN COMPLEX WITH COMPOUND 5	HOMO SAPIENS	HYDROLASE NUDT1 NUDIX HYDROLASE INHIBITOR HYDROLASE-HYDRINHIBITOR COMPLEX
Ref.:	DISCOVERY OF POTENT AND SELECTIVE MTH1 INHIBITORS F ONCOLOGY: ENABLING RAPID TARGET (IN)VALIDATION. ACS MED.CHEM.LETT. V. 11 358 2020

Members (38)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 5 families.
1	6US4	ic50 = 13 nM	GN6	C12 H8 Cl2 N4	c1cc(c(c(c....
2	4C9X	Kd = 48 nM	VHS	C21 H22 Cl2 F N5 O	C[C@@H](c1....
3	5ANW	Kd = 0.003 uM	9CQ	C18 H18 N4 O	CN(C)C(=O)....
4	6F23	ic50 = 0.005 uM	C8Z	C17 H17 N3	c1ccc(cc1)....
5	5ANV	Kd = 0.0005 uM	RGJ	C19 H17 Cl F N3 O3	CNC(=O)c1c....
6	4N1T	ic50 = 0.8 nM	2GD	C11 H10 Cl2 N4	CNc1cc(nc(....
7	6AA4	ic50 = 0.47 uM	MKS	C24 H26 O6	CC(=CCc1c(....
8	5WS7	-	6U4	C10 H16 N5 O13 P3	C1[C@@H]([....
9	3ZR0	-	8OG	C10 H14 N5 O8 P	C1[C@@H]([....
10	6ILI	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
11	5NGS	ic50 = 170 nM	8WW	C13 H13 N5 S	c1ccc(cc1)....
12	6US3	ic50 = 81 nM	8JF	C18 H17 N3 O	Cc1cccc(c1....
13	4C9W	Kd = 781 nM	VGH	C21 H22 Cl2 F N5 O	C[C@H](c1c....
14	5GHJ	-	6U4	C10 H16 N5 O13 P3	C1[C@@H]([....
15	5GHI	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
16	5NHY	ic50 = 2.3 nM	8XT	C15 H20 N4 O2	CCNC(=O)c1....
17	6F20	Kd = 49.5 uM	C9E	C10 H10 N2 O2	CCOC(=O)c1....
18	5GHQ	-	6U4	C10 H16 N5 O13 P3	C1[C@@H]([....
19	5ANU	Kd = 0.0004 uM	58T	C17 H19 N5 O4	CNc1c2c3nc....
20	4N1U	ic50 = 5 nM	2GE	C13 H12 Cl2 N4	c1cc(c(c(c....
21	6F22	ic50 = 0.002 uM	C9B	C16 H16 N4 O	c1ccc(cc1)....
22	5FSM	Kd > 40 uM	N91	C10 H11 N3 O	CC(=O)Nc1c....
23	5NGR	ic50 = 24 uM	8WT	C6 H7 N5 S	CSc1[nH]c2....
24	5OTM	-	6OG	C11 H16 N5 O7 P	COc1c2c(nc....
25	6F1X	ic50 = 0.02 uM	C9Q	C16 H14 Cl N3 O	CCNC(=O)c1....
26	5ANS	ic50 = 2.056 uM	RX8	C17 H22 N4 O2	CCOCc1nc2c....
27	5FSN	Kd = 1.7 uM	6Q3	C8 H13 N3 O2	Cc1cc(nc(n....
28	5GHO	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
29	5FSO	Kd = 0.81 uM	S76	C5 H7 N3 O2	CNC1=CC(=O....
30	5FSK	-	H6Y	C10 H16 N5 O14 P3	c1nc(c2c(n....
31	6AA5	ic50 = 0.052 uM	MKU	C24 H26 O6	CC(=CCc1c2....
32	5GHN	-	6U4	C10 H16 N5 O13 P3	C1[C@@H]([....
33	5ANT	Kd = 0.44 uM	RJE	C16 H19 N5 O3	CNc1c2c(nc....
34	5FSI	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
35	6US2	Ki = 5.2 pM	S3O	C18 H21 N3 O	Cc1cccc(c1....
36	5GHM	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
37	5NGT	-	8WZ	C12 H10 N2 O2	Cc1cc(c2c(....
38	5FSL	Kd = 24 uM	UAN	C7 H9 N5 O	CNC1=Nc2c(....

70% Homology Family (44)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	6EHH	ic50 = 32 nM	2GE	C13 H12 Cl2 N4	c1cc(c(c(c....
2	5MZG	ic50 = 138 nM	2GE	C13 H12 Cl2 N4	c1cc(c(c(c....
3	5MZE	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
4	6US4	ic50 = 13 nM	GN6	C12 H8 Cl2 N4	c1cc(c(c(c....
5	4C9X	Kd = 48 nM	VHS	C21 H22 Cl2 F N5 O	C[C@@H](c1....
6	5ANW	Kd = 0.003 uM	9CQ	C18 H18 N4 O	CN(C)C(=O)....
7	6F23	ic50 = 0.005 uM	C8Z	C17 H17 N3	c1ccc(cc1)....
8	5ANV	Kd = 0.0005 uM	RGJ	C19 H17 Cl F N3 O3	CNC(=O)c1c....
9	4N1T	ic50 = 0.8 nM	2GD	C11 H10 Cl2 N4	CNc1cc(nc(....
10	6AA4	ic50 = 0.47 uM	MKS	C24 H26 O6	CC(=CCc1c(....
11	5WS7	-	6U4	C10 H16 N5 O13 P3	C1[C@@H]([....
12	3ZR0	-	8OG	C10 H14 N5 O8 P	C1[C@@H]([....
13	6ILI	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
14	5NGS	ic50 = 170 nM	8WW	C13 H13 N5 S	c1ccc(cc1)....
15	6US3	ic50 = 81 nM	8JF	C18 H17 N3 O	Cc1cccc(c1....
16	4C9W	Kd = 781 nM	VGH	C21 H22 Cl2 F N5 O	C[C@H](c1c....
17	5GHJ	-	6U4	C10 H16 N5 O13 P3	C1[C@@H]([....
18	5GHI	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
19	5NHY	ic50 = 2.3 nM	8XT	C15 H20 N4 O2	CCNC(=O)c1....
20	6F20	Kd = 49.5 uM	C9E	C10 H10 N2 O2	CCOC(=O)c1....
21	5GHQ	-	6U4	C10 H16 N5 O13 P3	C1[C@@H]([....
22	5ANU	Kd = 0.0004 uM	58T	C17 H19 N5 O4	CNc1c2c3nc....
23	4N1U	ic50 = 5 nM	2GE	C13 H12 Cl2 N4	c1cc(c(c(c....
24	6F22	ic50 = 0.002 uM	C9B	C16 H16 N4 O	c1ccc(cc1)....
25	5FSM	Kd > 40 uM	N91	C10 H11 N3 O	CC(=O)Nc1c....
26	5NGR	ic50 = 24 uM	8WT	C6 H7 N5 S	CSc1[nH]c2....
27	5OTM	-	6OG	C11 H16 N5 O7 P	COc1c2c(nc....
28	6F1X	ic50 = 0.02 uM	C9Q	C16 H14 Cl N3 O	CCNC(=O)c1....
29	5ANS	ic50 = 2.056 uM	RX8	C17 H22 N4 O2	CCOCc1nc2c....
30	5FSN	Kd = 1.7 uM	6Q3	C8 H13 N3 O2	Cc1cc(nc(n....
31	5GHO	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
32	5FSO	Kd = 0.81 uM	S76	C5 H7 N3 O2	CNC1=CC(=O....
33	5FSK	-	H6Y	C10 H16 N5 O14 P3	c1nc(c2c(n....
34	6AA5	ic50 = 0.052 uM	MKU	C24 H26 O6	CC(=CCc1c2....
35	5GHN	-	6U4	C10 H16 N5 O13 P3	C1[C@@H]([....
36	5ANT	Kd = 0.44 uM	RJE	C16 H19 N5 O3	CNc1c2c(nc....
37	5FSI	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
38	6US2	Ki = 5.2 pM	S3O	C18 H21 N3 O	Cc1cccc(c1....
39	5GHM	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
40	5NGT	-	8WZ	C12 H10 N2 O2	Cc1cc(c2c(....
41	5FSL	Kd = 24 uM	UAN	C7 H9 N5 O	CNC1=Nc2c(....
42	6QVO	-	6MA	C11 H16 N5 O6 P	CNc1c2c(nc....
43	5HZX	ic50 = 2.8 nM	2GE	C13 H12 Cl2 N4	c1cc(c(c(c....
44	5OTN	-	6OG	C11 H16 N5 O7 P	COc1c2c(nc....

50% Homology Family (44)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	6EHH	ic50 = 32 nM	2GE	C13 H12 Cl2 N4	c1cc(c(c(c....
2	5MZG	ic50 = 138 nM	2GE	C13 H12 Cl2 N4	c1cc(c(c(c....
3	5MZE	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
4	6US4	ic50 = 13 nM	GN6	C12 H8 Cl2 N4	c1cc(c(c(c....
5	4C9X	Kd = 48 nM	VHS	C21 H22 Cl2 F N5 O	C[C@@H](c1....
6	5ANW	Kd = 0.003 uM	9CQ	C18 H18 N4 O	CN(C)C(=O)....
7	6F23	ic50 = 0.005 uM	C8Z	C17 H17 N3	c1ccc(cc1)....
8	5ANV	Kd = 0.0005 uM	RGJ	C19 H17 Cl F N3 O3	CNC(=O)c1c....
9	4N1T	ic50 = 0.8 nM	2GD	C11 H10 Cl2 N4	CNc1cc(nc(....
10	6AA4	ic50 = 0.47 uM	MKS	C24 H26 O6	CC(=CCc1c(....
11	5WS7	-	6U4	C10 H16 N5 O13 P3	C1[C@@H]([....
12	3ZR0	-	8OG	C10 H14 N5 O8 P	C1[C@@H]([....
13	6ILI	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
14	5NGS	ic50 = 170 nM	8WW	C13 H13 N5 S	c1ccc(cc1)....
15	6US3	ic50 = 81 nM	8JF	C18 H17 N3 O	Cc1cccc(c1....
16	4C9W	Kd = 781 nM	VGH	C21 H22 Cl2 F N5 O	C[C@H](c1c....
17	5GHJ	-	6U4	C10 H16 N5 O13 P3	C1[C@@H]([....
18	5GHI	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
19	5NHY	ic50 = 2.3 nM	8XT	C15 H20 N4 O2	CCNC(=O)c1....
20	6F20	Kd = 49.5 uM	C9E	C10 H10 N2 O2	CCOC(=O)c1....
21	5GHQ	-	6U4	C10 H16 N5 O13 P3	C1[C@@H]([....
22	5ANU	Kd = 0.0004 uM	58T	C17 H19 N5 O4	CNc1c2c3nc....
23	4N1U	ic50 = 5 nM	2GE	C13 H12 Cl2 N4	c1cc(c(c(c....
24	6F22	ic50 = 0.002 uM	C9B	C16 H16 N4 O	c1ccc(cc1)....
25	5FSM	Kd > 40 uM	N91	C10 H11 N3 O	CC(=O)Nc1c....
26	5NGR	ic50 = 24 uM	8WT	C6 H7 N5 S	CSc1[nH]c2....
27	5OTM	-	6OG	C11 H16 N5 O7 P	COc1c2c(nc....
28	6F1X	ic50 = 0.02 uM	C9Q	C16 H14 Cl N3 O	CCNC(=O)c1....
29	5ANS	ic50 = 2.056 uM	RX8	C17 H22 N4 O2	CCOCc1nc2c....
30	5FSN	Kd = 1.7 uM	6Q3	C8 H13 N3 O2	Cc1cc(nc(n....
31	5GHO	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
32	5FSO	Kd = 0.81 uM	S76	C5 H7 N3 O2	CNC1=CC(=O....
33	5FSK	-	H6Y	C10 H16 N5 O14 P3	c1nc(c2c(n....
34	6AA5	ic50 = 0.052 uM	MKU	C24 H26 O6	CC(=CCc1c2....
35	5GHN	-	6U4	C10 H16 N5 O13 P3	C1[C@@H]([....
36	5ANT	Kd = 0.44 uM	RJE	C16 H19 N5 O3	CNc1c2c(nc....
37	5FSI	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
38	6US2	Ki = 5.2 pM	S3O	C18 H21 N3 O	Cc1cccc(c1....
39	5GHM	-	8DG	C10 H16 N5 O14 P3	C1[C@@H]([....
40	5NGT	-	8WZ	C12 H10 N2 O2	Cc1cc(c2c(....
41	5FSL	Kd = 24 uM	UAN	C7 H9 N5 O	CNC1=Nc2c(....
42	6QVO	-	6MA	C11 H16 N5 O6 P	CNc1c2c(nc....
43	5HZX	ic50 = 2.8 nM	2GE	C13 H12 Cl2 N4	c1cc(c(c(c....
44	5OTN	-	6OG	C11 H16 N5 O7 P	COc1c2c(nc....

Polypharmacology

Similar Ligands (2D)

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

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

Similar Ligands (3D)

Ligand no: 1; Ligand: UAN; Similar ligands found: 1091

No:	Ligand	Similarity coefficient
1	9MG	0.9774
2	6VD	0.9671
3	G3F	0.9670
4	BGC	0.9665
5	GCS	0.9633
6	B60	0.9628
7	M0Q	0.9624
8	2MN	0.9616
9	M0W	0.9613
10	8S0	0.9613
11	M1Q	0.9605
12	DBJ	0.9583
13	7VS	0.9577
14	D07	0.9570
15	PE0	0.9568
16	HLZ	0.9565
17	AZ8	0.9563
18	NDM	0.9562
19	GUN	0.9562
20	MAQ	0.9557
21	3DO	0.9555
22	M1H	0.9548
23	C2U	0.9545
24	GLC	0.9540
25	XAN	0.9537
26	DNC	0.9535
27	MUA	0.9534
28	MEW	0.9534
29	AZA	0.9533
30	9DG	0.9531
31	141	0.9527
32	IGA	0.9525
33	4HC	0.9524
34	1XM	0.9522
35	FOT	0.9519
36	UNC	0.9519
37	N8Y	0.9515
38	M5K	0.9510
39	M6N	0.9506
40	6AP	0.9504
41	J9W	0.9503
42	A2F	0.9499
43	4KL	0.9495
44	YH7	0.9494
45	5WX	0.9494
46	AQO	0.9491
47	SRO	0.9487
48	0CU	0.9486
49	Q24	0.9486
50	BOA	0.9486
51	3MG	0.9484
52	QPR	0.9481
53	BK9	0.9476
54	AZG	0.9475
55	AJ2	0.9474
56	DX4	0.9471
57	2AK	0.9469
58	5WY	0.9467
59	6GU	0.9465
60	7ZE	0.9460
61	LGC	0.9458
62	290	0.9457
63	KYA	0.9454
64	GAL	0.9452
65	LZM	0.9452
66	TSS	0.9449
67	IJZ	0.9447
68	DIU	0.9443
69	RM1	0.9440
70	MBG	0.9437
71	I6G	0.9434
72	BCP	0.9430
73	HA5	0.9429
74	I3A	0.9425
75	42A	0.9425
76	KIB	0.9422
77	2ZQ	0.9419
78	CFP	0.9419
79	RXA	0.9419
80	URC	0.9415
81	5OB	0.9410
82	TOF	0.9409
83	CWS	0.9406
84	BZ3	0.9404
85	1P7	0.9403
86	FDB	0.9402
87	4VS	0.9401
88	VK3	0.9394
89	NQ	0.9392
90	7HQ	0.9391
91	KBG	0.9389
92	Z5P	0.9387
93	7WR	0.9386
94	II6	0.9383
95	DPZ	0.9381
96	M1E	0.9376
97	329	0.9372
98	7NI	0.9366
99	5B1	0.9366
100	FE DB1	0.9365
101	6BL	0.9364
102	EA1	0.9363
103	92P	0.9363
104	GTZ	0.9359
105	4ME	0.9358
106	V55	0.9357
107	NID	0.9356
108	APZ	0.9356
109	PRZ	0.9354
110	4M4	0.9352
111	ICO	0.9349
112	HH5	0.9345
113	C2Y	0.9344
114	KT7	0.9344
115	7VJ	0.9344
116	Q6T	0.9344
117	12B	0.9342
118	0P6	0.9342
119	HJP	0.9340
120	ALL	0.9337
121	OW4	0.9337
122	X8D	0.9337
123	AZ9	0.9335
124	5XC	0.9335
125	OXC	0.9330
126	KUF	0.9330
127	DNF	0.9329
128	SOR	0.9329
129	HLD	0.9328
130	28N	0.9328
131	ZZ8	0.9327
132	XQG	0.9324
133	PDC	0.9323
134	WOO	0.9320
135	B55	0.9319
136	AKH	0.9319
137	PFB	0.9319
138	MIG	0.9318
139	1XN	0.9318
140	SHG	0.9316
141	G1O	0.9316
142	BDP	0.9316
143	5CU	0.9314
144	X09	0.9313
145	HQD	0.9313
146	H33	0.9313
147	GCW	0.9309
148	AIN	0.9308
149	495	0.9307
150	GTQ	0.9307
151	209	0.9306
152	E7Z	0.9305
153	MO8	0.9304
154	8ZE	0.9304
155	3MB	0.9301
156	YSO	0.9301
157	GT0	0.9299
158	EOL	0.9299
159	DRL	0.9298
160	NVU	0.9297
161	5M0	0.9297
162	OVM	0.9297
163	3NY	0.9297
164	2LY	0.9296
165	7MX	0.9296
166	5RN	0.9296
167	INE	0.9296
168	8CM	0.9291
169	5RG	0.9291
170	0GZ	0.9291
171	GDE	0.9291
172	6NT	0.9290
173	OTD	0.9289
174	6CS	0.9289
175	42C	0.9288
176	3Z8	0.9287
177	SHA	0.9287
178	5JQ	0.9286
179	5MK	0.9285
180	CKU	0.9284
181	FBG	0.9283
182	BTY	0.9282
183	NOJ	0.9281
184	GLT	0.9281
185	F0J	0.9280
186	EUG	0.9279
187	9TZ	0.9279
188	JUG	0.9278
189	QBK	0.9278
190	GOX	0.9277
191	HZQ	0.9276
192	54G	0.9275
193	75K	0.9275
194	MT0	0.9273
195	4MU	0.9273
196	KJY	0.9272
197	25W	0.9270
198	SX1	0.9269
199	0LH	0.9269
200	DHK	0.9269
201	ORO	0.9268
202	8WT	0.9267
203	XHP	0.9266
204	B62	0.9265
205	N2I	0.9265
206	5WU	0.9264
207	4XV	0.9263
208	B53	0.9263
209	Q7A	0.9262
210	8TX	0.9262
211	5NE	0.9261
212	3R6	0.9259
213	0HN	0.9259
214	VNL	0.9258
215	TSR	0.9257
216	1GN	0.9255
217	9KT	0.9255
218	1F1	0.9255
219	F12	0.9253
220	DOR	0.9250
221	CTS	0.9250
222	X05	0.9248
223	4XS	0.9248
224	15L	0.9245
225	DQU	0.9245
226	OA3	0.9244
227	2HQ	0.9244
228	ASO	0.9242
229	DOB	0.9242
230	IV2	0.9241
231	XAZ	0.9240
232	2EC	0.9237
233	CFF	0.9237
234	AH8	0.9234
235	HNQ	0.9234
236	HH8	0.9233
237	B57	0.9233
238	8GK	0.9232
239	149	0.9231
240	9FE	0.9229
241	8XQ	0.9229
242	Q88	0.9229
243	15N	0.9229
244	DEE	0.9227
245	AW5	0.9226
246	NTZ	0.9226
247	32X	0.9226
248	8IG	0.9225
249	4XH	0.9224
250	PXL	0.9223
251	G6D	0.9221
252	M6Z	0.9220
253	GCB	0.9220
254	44V	0.9218
255	5RO	0.9218
256	2H5	0.9217
257	QX4	0.9217
258	2SX	0.9216
259	7B3	0.9215
260	LKA	0.9214
261	2ZM	0.9214
262	0FK	0.9212
263	AJV	0.9212
264	5JL	0.9212
265	UEG	0.9212
266	34D	0.9212
267	680	0.9209
268	DHQ	0.9208
269	0N7	0.9205
270	CWM	0.9205
271	DNA	0.9205
272	APS	0.9204
273	FA0	0.9204
274	QX2	0.9202
275	44W	0.9201
276	BCU	0.9200
277	BEA	0.9194
278	0JD	0.9194
279	4HM	0.9193
280	FLV	0.9191
281	QWW	0.9191
282	226	0.9191
283	ADZ	0.9191
284	GXY	0.9191
285	261	0.9190
286	0HO	0.9189
287	MVN	0.9188
288	H7Y	0.9188
289	OW7	0.9188
290	TTY	0.9187
291	86J	0.9185
292	2FG	0.9185
293	JR2	0.9185
294	M2K	0.9184
295	PYQ	0.9182
296	TEP	0.9182
297	EVA	0.9181
298	1X7	0.9180
299	7ME	0.9180
300	JTH	0.9180
301	GOG	0.9178
302	0F9	0.9178
303	8HC	0.9177
304	PRF	0.9177
305	PD2	0.9176
306	M5N	0.9175
307	ZVO	0.9174
308	GLA	0.9174
309	UFO	0.9172
310	ABI	0.9172
311	CKA	0.9172
312	39A	0.9171
313	1LQ	0.9170
314	OTW	0.9169
315	37T	0.9169
316	6NI	0.9169
317	ZWZ	0.9168
318	1NP	0.9166
319	4Z4	0.9166
320	97T	0.9166
321	N5J	0.9165
322	AMG	0.9165
323	JPZ	0.9165
324	4TU	0.9165
325	FHN	0.9164
326	FP1	0.9164
327	7B4	0.9163
328	FGZ	0.9163
329	SYA	0.9161
330	ES0	0.9160
331	5NS	0.9158
332	LI6	0.9157
333	5Q0	0.9157
334	6ME	0.9157
335	1LM	0.9157
336	IFL	0.9156
337	HA7	0.9156
338	GIV	0.9156
339	0FO	0.9153
340	LDR	0.9153
341	2D0	0.9153
342	HQY	0.9152
343	MR1	0.9152
344	0XT	0.9150
345	ES1	0.9149
346	JXW	0.9149
347	G5V	0.9146
348	3F0	0.9145
349	COU	0.9145
350	VXX	0.9145
351	4M0	0.9144
352	5IQ	0.9143
353	GNL	0.9142
354	NSG	0.9142
355	12Q	0.9142
356	OMD	0.9141
357	KJU	0.9141
358	5SG	0.9140
359	PH2	0.9139
360	GIM	0.9138
361	NGT	0.9137
362	ARP	0.9137
363	PEY	0.9135
364	OVP	0.9135
365	3M0	0.9133
366	BMA	0.9132
367	F9Y	0.9132
368	G2F	0.9131
369	4YS	0.9130
370	HHA	0.9129
371	QSH	0.9129
372	5NU	0.9129
373	3WA	0.9129
374	TVP	0.9126
375	1AL	0.9126
376	CBF	0.9124
377	YIO	0.9123
378	X6X	0.9123
379	GTL	0.9122
380	SBK	0.9122
381	2O6	0.9119
382	NGO	0.9117
383	HTP	0.9117
384	GTR	0.9115
385	GCU	0.9114
386	PHT	0.9114
387	AHR	0.9114
388	9AP	0.9113
389	CTL	0.9113
390	4FS	0.9110
391	5NI	0.9110
392	H6B	0.9109
393	0W8	0.9109
394	FA6	0.9109
395	24W	0.9109
396	T6C	0.9109
397	F5B	0.9108
398	SVN	0.9108
399	NMJ	0.9107
400	AEZ	0.9106
401	SYR	0.9106
402	HQT	0.9106
403	J9Q	0.9106
404	1SQ	0.9105
405	GV9	0.9104
406	64C	0.9104
407	60Q	0.9103
408	TTL	0.9103
409	35C	0.9102
410	H42	0.9101
411	JBH	0.9100
412	EJZ	0.9100
413	2AQ	0.9100
414	ESI	0.9100
415	JBK	0.9099
416	M1A	0.9099
417	3Z7	0.9097
418	NOY	0.9096
419	XXR	0.9096
420	O72	0.9096
421	JKZ	0.9095
422	TQU	0.9095
423	F31	0.9095
424	9R5	0.9094
425	PHH	0.9093
426	PX7	0.9092
427	ADK	0.9092
428	LT2	0.9090
429	BHA	0.9089
430	7W1	0.9088
431	ODO	0.9088
432	AEH	0.9087
433	LZ2	0.9087
434	6LW	0.9086
435	512	0.9086
436	RD4	0.9086
437	LT8	0.9086
438	5QX	0.9084
439	HHR	0.9084
440	ZZZ	0.9082
441	03V	0.9082
442	OCH	0.9082
443	3A9	0.9082
444	CLZ	0.9082
445	INO	0.9081
446	B56	0.9080
447	KOJ	0.9079
448	LSA	0.9079
449	IAC	0.9078
450	ES5	0.9078
451	NBG	0.9076
452	DIE	0.9076
453	1U6	0.9076
454	3DM	0.9075
455	C9E	0.9074
456	BZX	0.9074
457	MHK	0.9073
458	ZYR	0.9073
459	JB5	0.9072
460	MQB	0.9072
461	A7W	0.9070
462	DBH	0.9069
463	2FY	0.9069
464	J01	0.9069
465	SXS	0.9069
466	MS9	0.9069
467	4JT	0.9068
468	P9P	0.9067
469	GIO	0.9066
470	FUL	0.9066
471	PQ0	0.9066
472	8XL	0.9065
473	O2A	0.9063
474	8G0	0.9062
475	JF2	0.9061
476	3IT	0.9061
477	NLA	0.9061
478	EYK	0.9061
479	3HA	0.9059
480	7MH	0.9058
481	KDV	0.9058
482	WCE	0.9057
483	FH2	0.9056
484	SAL	0.9055
485	67N	0.9055
486	JBE	0.9055
487	CHB	0.9053
488	PM6	0.9052
489	5GU	0.9052
490	4JQ	0.9052
491	3NT	0.9050
492	7I2	0.9048
493	K32	0.9047
494	1QP	0.9046
495	9FL	0.9046
496	EMZ	0.9044
497	R8V	0.9042
498	IOS	0.9041
499	2AL	0.9041
500	5HN	0.9040
501	92K	0.9040
502	NTM	0.9039
503	3U4	0.9038
504	EQT	0.9037
505	30G	0.9036
506	5OF	0.9034
507	6M9	0.9034
508	JBQ	0.9034
509	2HU	0.9032
510	TNF	0.9031
511	FDK	0.9029
512	JIF	0.9029
513	FUC	0.9028
514	K22	0.9028
515	8GC	0.9028
516	BP1	0.9027
517	3BZ	0.9027
518	K3Q	0.9026
519	F05	0.9024
520	FYU	0.9024
521	HPA	0.9021
522	ASC	0.9020
523	VOH	0.9020
524	KIA	0.9018
525	DHB	0.9017
526	0RW	0.9016
527	BE2	0.9016
528	5MB	0.9015
529	D1X	0.9015
530	4NC	0.9014
531	6AI	0.9013
532	KTW	0.9013
533	CWJ	0.9012
534	9DA	0.9012
535	ISE	0.9012
536	2HO	0.9012
537	3AB	0.9011
538	8W9	0.9011
539	MFB	0.9010
540	3MA	0.9010
541	53C	0.9010
542	ES9	0.9010
543	OVV	0.9009
544	5H1	0.9008
545	BRT	0.9008
546	GAB	0.9007
547	ADE	0.9007
548	G4D	0.9006
549	2LP	0.9006
550	4AV	0.9006
551	57O	0.9005
552	TNL	0.9004
553	SR4	0.9004
554	PXM	0.9004
555	MT5	0.9003
556	LDP	0.9002
557	ONR	0.9001
558	4CS	0.9001
559	SLS	0.9001
560	E1T	0.9000
561	2JK	0.9000
562	PQK	0.8999
563	9EW	0.8997
564	1U1	0.8997
565	6MP	0.8997
566	28S	0.8997
567	4RU	0.8997
568	11S	0.8996
569	9HX	0.8996
570	QAT	0.8995
571	5MI	0.8994
572	F60	0.8994
573	GJS	0.8994
574	14O	0.8994
575	NAG	0.8993
576	94W	0.8992
577	DBX	0.8991
578	GM7	0.8991
579	3RI	0.8991
580	82I	0.8991
581	3TJ	0.8990
582	S3B	0.8990
583	FRU	0.8990
584	FK1	0.8990
585	IHB	0.8990
586	0FN	0.8990
587	R9Y	0.8990
588	A13	0.8989
589	H4N	0.8989
590	3HB	0.8987
591	H5B	0.8986
592	9ZE	0.8985
593	HMU	0.8984
594	JAW	0.8983
595	23A	0.8983
596	JAE	0.8982
597	QSB	0.8982
598	GJP	0.8982
599	HLR	0.8981
600	XIY	0.8981
601	R8S	0.8980
602	7W4	0.8980
603	V1T	0.8979
604	6M4	0.8978
605	9PY	0.8978
606	ISN	0.8977
607	RPQ	0.8976
608	JKE	0.8975
609	K2P	0.8975
610	2K4	0.8975
611	JDN	0.8975
612	JB8	0.8975
613	MRW	0.8975
614	9TW	0.8975
615	4SV	0.8973
616	MYJ	0.8972
617	HKD	0.8972
618	KLW	0.8971
619	GYE	0.8970
620	MAN	0.8969
621	DGJ	0.8968
622	QMS	0.8968
623	XYL	0.8967
624	MWP	0.8967
625	FA3	0.8966
626	EXO	0.8966
627	8WZ	0.8966
628	Q71	0.8966
629	TBP	0.8966
630	5QY	0.8966
631	S76	0.8965
632	HX3	0.8964
633	TBS	0.8964
634	K17	0.8964
635	4ZC	0.8964
636	3XX	0.8963
637	1WD	0.8962
638	GZ8	0.8961
639	KIF	0.8960
640	FCB	0.8960
641	SKA	0.8960
642	7FF	0.8959
643	2FQ	0.8958
644	7WV	0.8957
645	BTE	0.8956
646	IF7	0.8956
647	ENL	0.8953
648	DIN	0.8953
649	M3S	0.8951
650	DMJ	0.8950
651	2BG	0.8950
652	93K	0.8950
653	RAM	0.8949
654	MT8	0.8949
655	GAF	0.8947
656	NNO	0.8947
657	6KT	0.8947
658	7WA	0.8945
659	ES4	0.8945
660	B5D	0.8945
661	8WO	0.8945
662	3PF	0.8945
663	7HP	0.8944
664	23J	0.8942
665	IFM	0.8942
666	JFD	0.8942
667	KBB	0.8939
668	GCO	0.8938
669	ES6	0.8938
670	RM4	0.8938
671	8NY	0.8938
672	6DP	0.8937
673	JXN	0.8934
674	FUF	0.8934
675	BPU	0.8932
676	INS	0.8932
677	G3E	0.8932
678	TWO	0.8932
679	TH7	0.8931
680	0W1	0.8931
681	FHB	0.8929
682	PA1	0.8929
683	4AA	0.8927
684	SKM	0.8926
685	XQ0	0.8925
686	GXL	0.8923
687	QAS	0.8923
688	RNS	0.8922
689	JLZ	0.8922
690	DX3	0.8922
691	10L	0.8920
692	2A9	0.8919
693	18N	0.8919
694	SWA	0.8918
695	8H8	0.8918
696	8VE	0.8917
697	AJY	0.8916
698	NDH	0.8916
699	4YO	0.8916
700	OKM	0.8915
701	UFV	0.8914
702	HHS	0.8913
703	5WV	0.8913
704	ICT	0.8912
705	67Y	0.8909
706	091	0.8909
707	IBM	0.8908
708	TRA	0.8907
709	DQA	0.8907
710	HMH	0.8906
711	TXW	0.8905
712	GCV	0.8904
713	DMD	0.8904
714	52C	0.8902
715	3RK	0.8901
716	3C1	0.8901
717	2K8	0.8901
718	KJH	0.8900
719	K37	0.8900
720	LNR	0.8899
721	X0V	0.8899
722	J9T	0.8898
723	LOG	0.8898
724	KP6	0.8898
725	3C2	0.8898
726	EV0	0.8897
727	1P8	0.8897
728	CKX	0.8895
729	12M	0.8894
730	N2Z	0.8893
731	TFU	0.8893
732	2A7	0.8891
733	5CL	0.8891
734	4A3	0.8888
735	6R8	0.8887
736	JZ3	0.8886
737	ROI	0.8884
738	1M2	0.8884
739	6XI	0.8883
740	LYL	0.8882
741	M4E	0.8882
742	F69	0.8881
743	I1N	0.8881
744	NBV	0.8880
745	SOE	0.8880
746	4AN	0.8880
747	8VN	0.8878
748	MVL	0.8876
749	NCD	0.8875
750	ADA	0.8874
751	9KH	0.8874
752	ZZT	0.8873
753	YQA	0.8872
754	20J	0.8872
755	3ID	0.8871
756	1P3	0.8871
757	JF1	0.8870
758	THA	0.8870
759	MNM	0.8869
760	TT4	0.8869
761	XX2	0.8865
762	3J8	0.8865
763	GZL	0.8865
764	ES2	0.8864
765	61M	0.8863
766	PJW	0.8862
767	IBF	0.8861
768	IPB	0.8860
769	G12	0.8860
770	5VJ	0.8860
771	KG1	0.8859
772	ESP	0.8859
773	MAJ	0.8857
774	4XR	0.8857
775	KKN	0.8855
776	AMR	0.8855
777	39U	0.8855
778	D48	0.8855
779	DA4	0.8853
780	JFJ	0.8853
781	GRE	0.8852
782	8MO	0.8852
783	1DW	0.8851
784	6M1	0.8851
785	TRC	0.8849
786	FDR	0.8849
787	67X	0.8848
788	5VL	0.8848
789	Q77	0.8847
790	VNJ	0.8847
791	M3Q	0.8847
792	27B	0.8847
793	R8A	0.8845
794	ES7	0.8844
795	AA	0.8844
796	W81	0.8841
797	39O	0.8838
798	N7I	0.8838
799	NDG	0.8838
800	06B	0.8837
801	AY4	0.8837
802	0TU	0.8837
803	SF9	0.8836
804	2ZV	0.8836
805	A7H	0.8834
806	R9S	0.8833
807	JP2	0.8833
808	V6F	0.8832
809	36R	0.8832
810	BBF	0.8832
811	51R	0.8831
812	9CA	0.8831
813	BSP	0.8830
814	FXH	0.8829
815	3HM	0.8829
816	ZXD	0.8828
817	293	0.8828
818	BZJ	0.8827
819	AX3	0.8827
820	BCF	0.8826
821	RIB	0.8825
822	CLW	0.8824
823	1KP	0.8821
824	HPT	0.8821
825	MQN	0.8821
826	VGD	0.8820
827	MYI	0.8819
828	SYV	0.8818
829	LRH	0.8818
830	SE2	0.8818
831	2KA	0.8816
832	QWN	0.8815
833	7ZC	0.8814
834	FSW	0.8813
835	ET2	0.8812
836	DK1	0.8812
837	J5I	0.8810
838	G1P	0.8809
839	KDO	0.8808
840	8NX	0.8808
841	IPZ	0.8808
842	6F0	0.8805
843	AC2	0.8805
844	SWD	0.8805
845	A1Y	0.8804
846	4XY	0.8804
847	49O	0.8803
848	K8X	0.8802
849	173	0.8802
850	0GY	0.8801
851	XYP	0.8799
852	JG8	0.8799
853	NIZ	0.8799
854	7D2	0.8798
855	KYD	0.8798
856	L46	0.8797
857	1X8	0.8796
858	FBU	0.8796
859	505	0.8796
860	42J	0.8796
861	NSP	0.8795
862	L99	0.8794
863	2GS	0.8793
864	GI3	0.8793
865	3SK	0.8793
866	GLY PRO	0.8792
867	286	0.8791
868	E5X	0.8791
869	3FH	0.8790
870	NK	0.8788
871	XFE	0.8787
872	HBO	0.8787
873	M5H	0.8786
874	2CQ	0.8786
875	SR1	0.8784
876	QXW	0.8784
877	1IT	0.8784
878	54X	0.8784
879	KLK	0.8783
880	1WG	0.8783
881	DHY	0.8782
882	CFA	0.8780
883	1XA	0.8780
884	7MU	0.8779
885	717	0.8777
886	ZZ3	0.8776
887	ANF	0.8774
888	F1A	0.8769
889	2CG	0.8769
890	DFB	0.8769
891	MB1	0.8768
892	6OT	0.8768
893	BDF	0.8765
894	HFB	0.8765
895	069	0.8764
896	EXD	0.8762
897	96R	0.8761
898	QIC	0.8760
899	CIT	0.8759
900	4SX	0.8758
901	FB1	0.8757
902	2D3	0.8755
903	FBB	0.8755
904	TGX	0.8755
905	PFL	0.8755
906	150	0.8754
907	K2T	0.8754
908	ABV	0.8754
909	5VM	0.8752
910	LXC	0.8750
911	QM1	0.8749
912	L7T	0.8748
913	BNT	0.8748
914	F3B	0.8747
915	MFU	0.8745
916	MAG	0.8745
917	NPA	0.8742
918	HIS	0.8742
919	BHO	0.8741
920	UQ	0.8741
921	QQQ	0.8739
922	CIY	0.8738
923	N3W	0.8738
924	3BU	0.8737
925	K97	0.8737
926	JU2	0.8736
927	4P5	0.8736
928	E7R	0.8734
929	0R0	0.8734
930	45L	0.8733
931	ZB1	0.8732
932	FLC	0.8731
933	3AL	0.8731
934	ISZ	0.8731
935	CH9	0.8731
936	DQN	0.8730
937	MXX	0.8729
938	KGK	0.8729
939	F95	0.8728
940	VYM	0.8728
941	P92	0.8728
942	1A7	0.8727
943	1HN	0.8727
944	GSY	0.8727
945	2CZ	0.8726
946	270	0.8726
947	2DR	0.8723
948	24B	0.8723
949	GIF	0.8722
950	AX7	0.8721
951	XEN	0.8720
952	96U	0.8719
953	GOO	0.8718
954	X0W	0.8716
955	2F6	0.8716
956	64E	0.8715
957	MNP	0.8714
958	SG2	0.8714
959	582	0.8710
960	XCZ	0.8708
961	HHT	0.8708
962	3VX	0.8707
963	GO8	0.8705
964	4A5	0.8705
965	FUD	0.8705
966	K25	0.8705
967	OHP	0.8704
968	EKZ	0.8702
969	F4Z	0.8700
970	HXX	0.8700
971	P7Y	0.8698
972	GC2	0.8694
973	5PX	0.8692
974	45C	0.8692
975	7M6	0.8691
976	K6X	0.8690
977	9BF	0.8690
978	463	0.8689
979	QUZ	0.8688
980	AZF	0.8688
981	DRG	0.8686
982	3R9	0.8685
983	7CT	0.8683
984	XQK	0.8683
985	XXP	0.8682
986	F81	0.8681
987	B2J	0.8681
988	P3K	0.8679
989	PCI	0.8676
990	TC7	0.8673
991	2J9	0.8672
992	2CK	0.8669
993	MZG	0.8668
994	IPT	0.8664
995	FBV	0.8664
996	7MK	0.8663
997	5JC	0.8663
998	MMA	0.8662
999	MCT	0.8662
1000	H76	0.8660
1001	TIU	0.8659
1002	RMN	0.8659
1003	6RQ	0.8659
1004	2MI	0.8655
1005	537	0.8650
1006	MWJ	0.8649
1007	LAO	0.8647
1008	K5W	0.8646
1009	CFI	0.8645
1010	49N	0.8644
1011	K68	0.8644
1012	ZME	0.8643
1013	EGR	0.8641
1014	H62	0.8636
1015	9UL	0.8636
1016	9F8	0.8633
1017	N91	0.8632
1018	NPY	0.8632
1019	5AN	0.8630
1020	M78	0.8629
1021	QOS	0.8627
1022	HQJ	0.8627
1023	2YU	0.8627
1024	4HO	0.8627
1025	MZB	0.8627
1026	NQM	0.8625
1027	I7A	0.8624
1028	KFH	0.8624
1029	E35	0.8623
1030	FBW	0.8622
1031	GAG	0.8622
1032	8OZ	0.8621
1033	W8G	0.8618
1034	RSF	0.8617
1035	4CL	0.8617
1036	12T	0.8617
1037	2CL	0.8616
1038	PEZ	0.8615
1039	IUP	0.8614
1040	47J	0.8613
1041	BR9	0.8611
1042	4FH	0.8607
1043	AX2	0.8606
1044	27Y	0.8603
1045	MWM	0.8600
1046	IFP	0.8600
1047	95Z	0.8592
1048	3OC	0.8590
1049	6UA	0.8590
1050	SFU	0.8589
1051	FBT	0.8589
1052	2AC	0.8588
1053	4JJ	0.8588
1054	FA1	0.8583
1055	URF	0.8583
1056	XBZ	0.8581
1057	2HC	0.8579
1058	ERH	0.8578
1059	LT3	0.8576
1060	K82	0.8576
1061	2ZX	0.8575
1062	FCA	0.8574
1063	SF6	0.8573
1064	TH0	0.8573
1065	BR8	0.8573
1066	692	0.8567
1067	NGA	0.8566
1068	4ZE	0.8566
1069	61O	0.8562
1070	13X	0.8558
1071	A1U	0.8558
1072	A9O	0.8557
1073	LZB	0.8556
1074	4V6	0.8555
1075	DHR	0.8555
1076	JA8	0.8554
1077	XYD	0.8551
1078	4VY	0.8551
1079	WBU	0.8551
1080	JZ2	0.8548
1081	TIY	0.8548
1082	HT4	0.8547
1083	PSV	0.8546
1084	5ZE	0.8544
1085	FBM	0.8542
1086	NQH	0.8536
1087	LIP	0.8533
1088	1MC	0.8529
1089	N0Z	0.8524
1090	3AY	0.8520
1091	IP0	0.8519

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

Pocket No.: 1; Query (leader) PDB : 6US2; Ligand: S3O; 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: 6us2.bio1) has 29 residues
No:	Leader PDB	Ligand	Sequence Similarity

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