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Showing PDB: 5NOZ

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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
5NOZ	1.61 Å	EC: 5.2.1.8	STRUCTURE OF CYCLOPHILIN A IN COMPLEX WITH 3,4-DIAMINOBENZOH	HOMO SAPIENS	LIGAND COMPLEX BETA BARREL PROLYL CIS/TRANS ISOMERASE CYTISOMERASE
Ref.:	PUSHING THE LIMITS OF DETECTION OF WEAK BINDING USI FRAGMENT-BASED DRUG DISCOVERY: IDENTIFICATION OF NE CYCLOPHILIN BINDERS. J. MOL. BIOL. V. 429 2556 2017

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
L99	A:201;	Valid;	none;	submit data		166.18	C7 H10 N4 O	c1cc(...

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90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
1YND	1.6 Å	EC: 5.2.1.8	STRUCTURE OF HUMAN CYCLOPHILIN A IN COMPLEX WITH THE NOVEL IMMUNOSUPPRESSANT SANGLIFEHRIN A AT 1.6A RESOLUTION	HOMO SAPIENS	BETA SANDWICH CYCLOPHILIN-LIGAND COMPLEX CYCLOSPORIN ISOMERASE ROTAMASE
Ref.:	STRUCTURE OF HUMAN CYCLOPHILIN A IN COMPLEX WITH THE NOVEL IMMUNOSUPPRESSANT SANGLIFEHRIN A AT 1.6 A RESOLUTION. J.BIOL.CHEM. V. 280 21965 2005

Members (39)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 30 families.
1	5NOR	-	93Q	C6 H8 N2	Cc1cccnc1N
2	5T9W	Kd = 2600 nM	78E	C30 H42 N4 O6	CC(C)[C@H]....
3	5NOV	-	93B	C4 H8 N2 S	C1CNC(=S)N....
4	6X4O	Kd = 10 nM	UO7	C28 H35 N5 O5	C[C@@H]1c2....
5	5NOS	-	92Z	C5 H6 N2 O	C1C=C(C(=O....
6	4DGB	-	PRO GLY PRO LEU PRO ALA	n/a	n/a
7	1W8L	Ki = 320 mM	1P3	C8 H15 N O	C[C@@H]1CC....
8	5T9U	Kd = 25 nM	7HG	C34 H50 N4 O8	C[C@H]1[C@....
9	1AWV	-	HIS VAL GLY PRO ILE ALA	n/a	n/a
10	5TA2	Kd = 11 nM	78X	C36 H48 N4 O7	C[C@@H]1c2....
11	5NOT	-	938	C4 H4 Cl N3	c1c(c(ncn1....
12	5T9Z	Kd = 64 nM	78R	C35 H46 N4 O7	C[C@@H]1[C....
13	5NOX	-	L97	C5 H5 Cl N2	c1cc(c(nc1....
14	5CYH	-	GLY PRO	n/a	n/a
15	2CYH	-	ALA PRO	n/a	n/a
16	1AWU	-	HIS VAL GLY PRO ILE ALA	n/a	n/a
17	1VBT	-	ALA ALT PRO PHE NIT	n/a	n/a
18	5TA4	Kd = 24 nM	838	C30 H44 N4 O6	C[C@@H]1c2....
19	5NOY	-	93K	C7 H9 N3 O	c1cc(c(cc1....
20	1YND	ic50 = 3.6 nM	SFA	C60 H91 N5 O13	CC[C@H]1C[....
21	6X4P	Kd = 14 nM	UOG	C30 H39 N5 O5	C[C@@H]1c2....
22	6X4Q	Kd = 9 nM	UOJ	C31 H39 N5 O5	C[C@@H]1c2....
23	5NOZ	-	L99	C7 H10 N4 O	c1cc(c(cc1....
24	3CYH	-	SER PRO	n/a	n/a
25	1NMK	ic50 = 5.7 nM	SFM	C39 H56 N4 O10	C[C@H]1[C@....
26	6X4N	Kd = 4 nM	UOD	C30 H39 N5 O5	C[C@@H]1c2....
27	5NOW	-	L89	C5 H7 N3	c1cncc(c1N....
28	6X3Y	Kd = 10000 nM	UMM	C28 H42 N4 O7	CC(C)[C@@H....
29	6X4M	Kd = 11000 nM	UMM	C28 H42 N4 O7	CC(C)[C@@H....
30	4CYH	-	HIS PRO	n/a	n/a
31	1RMH	-	SIN ALA ALA PRO PHE NIT	n/a	n/a
32	1AWR	-	HIS ALA GLY PRO ILE ALA	n/a	n/a
33	1AWQ	-	HIS ALA GLY PRO ILE ALA	n/a	n/a
34	5LUD	-	76X	C5 H7 N3	c1cc(c(nc1....
35	1VBS	-	ALA DAL PRO PHE NIT	n/a	n/a
36	5NOQ	-	93E	C5 H5 Cl N2	c1cc(c(nc1....
37	1W8M	Ki = 25 mM	E1P	C9 H15 N O3	CCOC(=O)C(....
38	6X3R	Kd = 30000 nM	ZXX	C22 H32 N4 O6	CC(C)[C@@H....
39	5NOU	-	L60	C4 H8 N2 O	C1CNC(=O)N....

70% Homology Family (52)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 20 families.
1	5NOR	-	93Q	C6 H8 N2	Cc1cccnc1N
2	5T9W	Kd = 2600 nM	78E	C30 H42 N4 O6	CC(C)[C@H]....
3	5NOV	-	93B	C4 H8 N2 S	C1CNC(=S)N....
4	6X4O	Kd = 10 nM	UO7	C28 H35 N5 O5	C[C@@H]1c2....
5	5NOS	-	92Z	C5 H6 N2 O	C1C=C(C(=O....
6	4DGB	-	PRO GLY PRO LEU PRO ALA	n/a	n/a
7	1W8L	Ki = 320 mM	1P3	C8 H15 N O	C[C@@H]1CC....
8	5T9U	Kd = 25 nM	7HG	C34 H50 N4 O8	C[C@H]1[C@....
9	1AWV	-	HIS VAL GLY PRO ILE ALA	n/a	n/a
10	5TA2	Kd = 11 nM	78X	C36 H48 N4 O7	C[C@@H]1c2....
11	5NOT	-	938	C4 H4 Cl N3	c1c(c(ncn1....
12	5T9Z	Kd = 64 nM	78R	C35 H46 N4 O7	C[C@@H]1[C....
13	5NOX	-	L97	C5 H5 Cl N2	c1cc(c(nc1....
14	5CYH	-	GLY PRO	n/a	n/a
15	2CYH	-	ALA PRO	n/a	n/a
16	1AWU	-	HIS VAL GLY PRO ILE ALA	n/a	n/a
17	1VBT	-	ALA ALT PRO PHE NIT	n/a	n/a
18	5TA4	Kd = 24 nM	838	C30 H44 N4 O6	C[C@@H]1c2....
19	5NOY	-	93K	C7 H9 N3 O	c1cc(c(cc1....
20	1YND	ic50 = 3.6 nM	SFA	C60 H91 N5 O13	CC[C@H]1C[....
21	6X4P	Kd = 14 nM	UOG	C30 H39 N5 O5	C[C@@H]1c2....
22	6X4Q	Kd = 9 nM	UOJ	C31 H39 N5 O5	C[C@@H]1c2....
23	5NOZ	-	L99	C7 H10 N4 O	c1cc(c(cc1....
24	3CYH	-	SER PRO	n/a	n/a
25	1NMK	ic50 = 5.7 nM	SFM	C39 H56 N4 O10	C[C@H]1[C@....
26	6X4N	Kd = 4 nM	UOD	C30 H39 N5 O5	C[C@@H]1c2....
27	5NOW	-	L89	C5 H7 N3	c1cncc(c1N....
28	6X3Y	Kd = 10000 nM	UMM	C28 H42 N4 O7	CC(C)[C@@H....
29	6X4M	Kd = 11000 nM	UMM	C28 H42 N4 O7	CC(C)[C@@H....
30	4CYH	-	HIS PRO	n/a	n/a
31	1RMH	-	SIN ALA ALA PRO PHE NIT	n/a	n/a
32	1AWR	-	HIS ALA GLY PRO ILE ALA	n/a	n/a
33	1AWQ	-	HIS ALA GLY PRO ILE ALA	n/a	n/a
34	5LUD	-	76X	C5 H7 N3	c1cc(c(nc1....
35	1VBS	-	ALA DAL PRO PHE NIT	n/a	n/a
36	5NOQ	-	93E	C5 H5 Cl N2	c1cc(c(nc1....
37	1W8M	Ki = 25 mM	E1P	C9 H15 N O3	CCOC(=O)C(....
38	6X3R	Kd = 30000 nM	ZXX	C22 H32 N4 O6	CC(C)[C@@H....
39	5NOU	-	L60	C4 H8 N2 O	C1CNC(=O)N....
40	6R9X	Kd = 1.1 mM	JW2	C13 H17 N3 O2	c1ccnc(c1)....
41	4ZSD	-	7I6	C24 H32 N4 O2 S2	CSCC[C@@H]....
42	4XNC	-	EA4	C12 H17 N3 O3	CCOC(=O)CN....
43	4ZSC	-	EA4	C12 H17 N3 O3	CCOC(=O)CN....
44	6RA1	-	JWB	C11 H13 N O4	C1C[C@H]2C....
45	6R8W	Kd = 1.2 uM	JVH	C23 H27 N3 O5	c1cc2c(cc1....
46	6R8O	Kd = 0.67 uM	JV2	C26 H32 N4 O4 S	CSc1ccccc1....
47	6R8L	Kd = 0.006 uM	JUZ	C26 H32 N4 O4 S	CSc1ccccc1....
48	6R9U	Kd = 7.5 mM	JVQ	C13 H16 N2 O3	CCN1Cc2cc3....
49	6R9S	Kd = 7.1 mM	JVN	C11 H12 F N O2	c1cc2c(cc1....
50	5YBA	Kd = 16.81 uM	GLU TYR GLY PRO LYS TRP ASN LYS	n/a	n/a
51	1VDN	-	ACE ALA ALA PRO ALA MCM	n/a	n/a
52	1E8K	-	ALA PRO	n/a	n/a

50% Homology Family (52)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 13 families.
1	5NOR	-	93Q	C6 H8 N2	Cc1cccnc1N
2	5T9W	Kd = 2600 nM	78E	C30 H42 N4 O6	CC(C)[C@H]....
3	5NOV	-	93B	C4 H8 N2 S	C1CNC(=S)N....
4	6X4O	Kd = 10 nM	UO7	C28 H35 N5 O5	C[C@@H]1c2....
5	5NOS	-	92Z	C5 H6 N2 O	C1C=C(C(=O....
6	4DGB	-	PRO GLY PRO LEU PRO ALA	n/a	n/a
7	1W8L	Ki = 320 mM	1P3	C8 H15 N O	C[C@@H]1CC....
8	5T9U	Kd = 25 nM	7HG	C34 H50 N4 O8	C[C@H]1[C@....
9	1AWV	-	HIS VAL GLY PRO ILE ALA	n/a	n/a
10	5TA2	Kd = 11 nM	78X	C36 H48 N4 O7	C[C@@H]1c2....
11	5NOT	-	938	C4 H4 Cl N3	c1c(c(ncn1....
12	5T9Z	Kd = 64 nM	78R	C35 H46 N4 O7	C[C@@H]1[C....
13	5NOX	-	L97	C5 H5 Cl N2	c1cc(c(nc1....
14	5CYH	-	GLY PRO	n/a	n/a
15	2CYH	-	ALA PRO	n/a	n/a
16	1AWU	-	HIS VAL GLY PRO ILE ALA	n/a	n/a
17	1VBT	-	ALA ALT PRO PHE NIT	n/a	n/a
18	5TA4	Kd = 24 nM	838	C30 H44 N4 O6	C[C@@H]1c2....
19	5NOY	-	93K	C7 H9 N3 O	c1cc(c(cc1....
20	1YND	ic50 = 3.6 nM	SFA	C60 H91 N5 O13	CC[C@H]1C[....
21	6X4P	Kd = 14 nM	UOG	C30 H39 N5 O5	C[C@@H]1c2....
22	6X4Q	Kd = 9 nM	UOJ	C31 H39 N5 O5	C[C@@H]1c2....
23	5NOZ	-	L99	C7 H10 N4 O	c1cc(c(cc1....
24	3CYH	-	SER PRO	n/a	n/a
25	1NMK	ic50 = 5.7 nM	SFM	C39 H56 N4 O10	C[C@H]1[C@....
26	6X4N	Kd = 4 nM	UOD	C30 H39 N5 O5	C[C@@H]1c2....
27	5NOW	-	L89	C5 H7 N3	c1cncc(c1N....
28	6X3Y	Kd = 10000 nM	UMM	C28 H42 N4 O7	CC(C)[C@@H....
29	6X4M	Kd = 11000 nM	UMM	C28 H42 N4 O7	CC(C)[C@@H....
30	4CYH	-	HIS PRO	n/a	n/a
31	1RMH	-	SIN ALA ALA PRO PHE NIT	n/a	n/a
32	1AWR	-	HIS ALA GLY PRO ILE ALA	n/a	n/a
33	1AWQ	-	HIS ALA GLY PRO ILE ALA	n/a	n/a
34	5LUD	-	76X	C5 H7 N3	c1cc(c(nc1....
35	1VBS	-	ALA DAL PRO PHE NIT	n/a	n/a
36	5NOQ	-	93E	C5 H5 Cl N2	c1cc(c(nc1....
37	1W8M	Ki = 25 mM	E1P	C9 H15 N O3	CCOC(=O)C(....
38	6X3R	Kd = 30000 nM	ZXX	C22 H32 N4 O6	CC(C)[C@@H....
39	5NOU	-	L60	C4 H8 N2 O	C1CNC(=O)N....
40	6R9X	Kd = 1.1 mM	JW2	C13 H17 N3 O2	c1ccnc(c1)....
41	4ZSD	-	7I6	C24 H32 N4 O2 S2	CSCC[C@@H]....
42	4XNC	-	EA4	C12 H17 N3 O3	CCOC(=O)CN....
43	4ZSC	-	EA4	C12 H17 N3 O3	CCOC(=O)CN....
44	6RA1	-	JWB	C11 H13 N O4	C1C[C@H]2C....
45	6R8W	Kd = 1.2 uM	JVH	C23 H27 N3 O5	c1cc2c(cc1....
46	6R8O	Kd = 0.67 uM	JV2	C26 H32 N4 O4 S	CSc1ccccc1....
47	6R8L	Kd = 0.006 uM	JUZ	C26 H32 N4 O4 S	CSc1ccccc1....
48	6R9U	Kd = 7.5 mM	JVQ	C13 H16 N2 O3	CCN1Cc2cc3....
49	6R9S	Kd = 7.1 mM	JVN	C11 H12 F N O2	c1cc2c(cc1....
50	5YBA	Kd = 16.81 uM	GLU TYR GLY PRO LYS TRP ASN LYS	n/a	n/a
51	1VDN	-	ACE ALA ALA PRO ALA MCM	n/a	n/a
52	1E8K	-	ALA PRO	n/a	n/a

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: L99; Similar ligands found: 4

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	L99	1	1
2	93K	0.5	0.793103
3	45L	0.428571	0.733333
4	47S	0.4	0.657895

Similar Ligands (3D)

Ligand no: 1; Ligand: L99; Similar ligands found: 1177

No:	Ligand	Similarity coefficient
1	LNR	0.9991
2	DHB	0.9762
3	P9P	0.9738
4	LDP	0.9706
5	VXX	0.9704
6	4NC	0.9667
7	7MU	0.9667
8	HDH	0.9663
9	INO	0.9607
10	9TW	0.9606
11	QSB	0.9588
12	J9T	0.9585
13	42J	0.9584
14	IHB	0.9557
15	NNO	0.9554
16	XX2	0.9535
17	MYJ	0.9531
18	X0V	0.9530
19	ASC	0.9528
20	FHB	0.9525
21	DHK	0.9525
22	4A3	0.9524
23	4FH	0.9520
24	VNL	0.9518
25	3C4	0.9518
26	GJZ	0.9517
27	XDE	0.9516
28	2HO	0.9516
29	F31	0.9515
30	3HM	0.9513
31	OTR	0.9513
32	SYV	0.9508
33	JLZ	0.9506
34	EKZ	0.9499
35	CHB	0.9499
36	BDP	0.9495
37	4P5	0.9486
38	PHB	0.9482
39	F4E	0.9482
40	D48	0.9474
41	GZL	0.9474
42	3PF	0.9472
43	5QY	0.9471
44	ISZ	0.9469
45	1F1	0.9468
46	G3E	0.9459
47	BHO	0.9449
48	I1E	0.9445
49	HQJ	0.9444
50	SE2	0.9443
51	SHA	0.9443
52	J5I	0.9442
53	NPO	0.9435
54	IWT	0.9433
55	3HB	0.9432
56	L5V	0.9430
57	PBZ	0.9428
58	3A9	0.9428
59	069	0.9426
60	ALE	0.9424
61	4SX	0.9424
62	TYL	0.9424
63	53C	0.9422
64	EGR	0.9422
65	2FY	0.9421
66	FBM	0.9421
67	BZ2	0.9418
68	2ZM	0.9417
69	R20	0.9412
70	LT2	0.9411
71	IFP	0.9411
72	GAB	0.9408
73	0HO	0.9408
74	GDE	0.9407
75	MSR	0.9407
76	SKM	0.9405
77	CN0	0.9404
78	3NT	0.9401
79	1Y6	0.9400
80	ABI	0.9400
81	J9Q	0.9398
82	0HN	0.9398
83	PAB	0.9398
84	CPZ	0.9398
85	7VP	0.9396
86	FEH	0.9395
87	F9P	0.9388
88	HBD	0.9383
89	JAW	0.9381
90	CFI	0.9374
91	MS9	0.9373
92	4FA	0.9371
93	MPV	0.9370
94	PZI	0.9369
95	4VY	0.9366
96	YRL	0.9365
97	3OC	0.9363
98	M4E	0.9363
99	5OB	0.9359
100	E7S	0.9357
101	BZ3	0.9355
102	FGZ	0.9353
103	SNU	0.9352
104	WCE	0.9350
105	826	0.9348
106	1WC	0.9348
107	ESP	0.9348
108	6NT	0.9347
109	YTX	0.9345
110	XIY	0.9344
111	HHH	0.9342
112	PHE	0.9340
113	H42	0.9336
114	DBH	0.9335
115	SVD	0.9332
116	4Z4	0.9331
117	C2Y	0.9331
118	3ID	0.9330
119	N2I	0.9330
120	QSH	0.9327
121	ASO	0.9327
122	36Y	0.9326
123	9FL	0.9325
124	4ZA	0.9325
125	AEH	0.9325
126	03V	0.9324
127	ONR	0.9323
128	92P	0.9323
129	GVG	0.9322
130	KOJ	0.9322
131	COU	0.9321
132	GYE	0.9321
133	DHI	0.9321
134	L22	0.9321
135	OCH	0.9320
136	EOL	0.9319
137	2AQ	0.9319
138	DHY	0.9317
139	N2Z	0.9316
140	4FS	0.9312
141	7MX	0.9312
142	PRZ	0.9311
143	0F9	0.9310
144	KTA	0.9309
145	ES5	0.9309
146	ODO	0.9309
147	JB5	0.9306
148	E7Z	0.9303
149	6FZ	0.9303
150	5NI	0.9300
151	5RO	0.9299
152	DMD	0.9298
153	AEF	0.9297
154	KKN	0.9296
155	BNF	0.9294
156	PIY	0.9292
157	P72	0.9288
158	1M2	0.9288
159	SW7	0.9287
160	H7Y	0.9287
161	M3H	0.9285
162	NIZ	0.9285
163	5GU	0.9283
164	5XC	0.9283
165	ISN	0.9282
166	4JQ	0.9278
167	JB8	0.9278
168	0JD	0.9278
169	8WO	0.9277
170	5QX	0.9275
171	173	0.9274
172	H4E	0.9273
173	CH9	0.9273
174	TTL	0.9271
175	86J	0.9269
176	AC6	0.9269
177	N3W	0.9268
178	ES7	0.9268
179	HQD	0.9268
180	NCT	0.9267
181	4MA	0.9267
182	4WL	0.9266
183	4AA	0.9266
184	8WT	0.9266
185	0N7	0.9265
186	AKG	0.9265
187	5WV	0.9261
188	1A7	0.9260
189	J9N	0.9258
190	717	0.9258
191	3NY	0.9258
192	A29	0.9256
193	GF4	0.9255
194	MR1	0.9255
195	ADA	0.9254
196	9CA	0.9253
197	BNL	0.9252
198	2AL	0.9248
199	PPY	0.9248
200	3Z8	0.9247
201	JFJ	0.9247
202	8NB	0.9247
203	FBW	0.9246
204	1IT	0.9245
205	EUG	0.9242
206	6RQ	0.9238
207	I3E	0.9236
208	ESX	0.9236
209	BHA	0.9234
210	428	0.9234
211	GCU	0.9233
212	ORO	0.9232
213	15N	0.9232
214	9ZE	0.9230
215	9FE	0.9230
216	DIN	0.9227
217	SAF	0.9227
218	174	0.9226
219	TWO	0.9224
220	1XA	0.9224
221	KJU	0.9223
222	BEN	0.9223
223	0BP	0.9222
224	PIM	0.9221
225	KTW	0.9221
226	YPN	0.9220
227	4XV	0.9220
228	AZ9	0.9219
229	4YO	0.9219
230	4HP	0.9219
231	DHC	0.9215
232	PHU	0.9214
233	BCU	0.9212
234	R8V	0.9212
235	4JT	0.9211
236	D1X	0.9207
237	5NU	0.9206
238	OVV	0.9206
239	GTQ	0.9205
240	J6W	0.9205
241	BAM	0.9204
242	Z82	0.9204
243	4XS	0.9203
244	OGA	0.9203
245	3LR	0.9202
246	E35	0.9201
247	XCZ	0.9200
248	4HM	0.9200
249	BEZ	0.9199
250	DOB	0.9198
251	7W4	0.9196
252	SAL	0.9196
253	5CU	0.9196
254	QBM	0.9196
255	JDN	0.9194
256	GO2	0.9194
257	FCR	0.9193
258	12Q	0.9192
259	15E	0.9192
260	UNJ	0.9192
261	1P8	0.9191
262	5RN	0.9190
263	9R5	0.9190
264	6NI	0.9189
265	8ZE	0.9189
266	2HU	0.9188
267	1KP	0.9187
268	FA0	0.9185
269	E5X	0.9185
270	A5E	0.9185
271	M4T	0.9183
272	HX3	0.9183
273	ESI	0.9183
274	3HA	0.9179
275	DHS	0.9179
276	4J8	0.9179
277	4BY	0.9176
278	UFV	0.9175
279	4XR	0.9175
280	TSU	0.9175
281	9RW	0.9174
282	2HQ	0.9174
283	MNN	0.9174
284	BPY	0.9174
285	0W8	0.9174
286	PJW	0.9173
287	7WR	0.9173
288	KJH	0.9172
289	SJ5	0.9170
290	PNZ	0.9170
291	6TZ	0.9169
292	I3A	0.9169
293	N1E	0.9169
294	ZXD	0.9168
295	AMH	0.9167
296	ICO	0.9165
297	3AB	0.9164
298	5HN	0.9164
299	6PC	0.9163
300	GTR	0.9163
301	PBC	0.9163
302	DNF	0.9163
303	8GC	0.9162
304	A7W	0.9161
305	ET2	0.9161
306	SAN	0.9161
307	JAE	0.9160
308	AC0	0.9160
309	C1M	0.9159
310	0P6	0.9158
311	NYL	0.9157
312	V55	0.9157
313	X0U	0.9156
314	AEG	0.9155
315	IAC	0.9155
316	JF6	0.9153
317	K5W	0.9153
318	268	0.9152
319	UNU	0.9152
320	HNK	0.9152
321	S2G	0.9151
322	TSS	0.9150
323	FA1	0.9148
324	6KT	0.9148
325	4M0	0.9146
326	TT4	0.9146
327	RBJ	0.9146
328	JND	0.9144
329	JRB	0.9143
330	MRW	0.9141
331	DYA	0.9141
332	NIO	0.9141
333	NCA	0.9141
334	HX4	0.9141
335	5RG	0.9140
336	SMN	0.9139
337	BRT	0.9139
338	EDR	0.9139
339	2HG	0.9137
340	MQN	0.9136
341	BGC	0.9136
342	CXF	0.9136
343	PO6	0.9135
344	DE5	0.9134
345	BQ2	0.9134
346	ES2	0.9133
347	SX1	0.9133
348	ABV	0.9132
349	FUD	0.9132
350	DOR	0.9131
351	TPA	0.9131
352	3ZB	0.9131
353	MXN	0.9130
354	XXG	0.9130
355	52C	0.9129
356	BE2	0.9128
357	5LA	0.9128
358	HQT	0.9127
359	3BZ	0.9127
360	AJV	0.9127
361	AX3	0.9126
362	7W1	0.9125
363	ICB	0.9124
364	EXD	0.9124
365	92K	0.9123
366	PH2	0.9122
367	FF2	0.9119
368	JG8	0.9118
369	DPN	0.9118
370	EA1	0.9118
371	KUF	0.9117
372	2F6	0.9117
373	4ME	0.9116
374	FBB	0.9115
375	DHR	0.9114
376	KBB	0.9113
377	O2A	0.9112
378	97T	0.9111
379	ANN	0.9110
380	FBS	0.9110
381	DQU	0.9110
382	GLC	0.9109
383	EN1	0.9107
384	BPN	0.9107
385	DGJ	0.9107
386	36E	0.9106
387	IPB	0.9105
388	BNS	0.9104
389	TZF	0.9103
390	4CS	0.9103
391	M45	0.9102
392	QWN	0.9099
393	K2T	0.9099
394	JTH	0.9099
395	P7Y	0.9098
396	XQ0	0.9097
397	TAG	0.9097
398	PXL	0.9096
399	0FK	0.9096
400	QMP	0.9095
401	1DJ	0.9094
402	HL5	0.9094
403	3HP	0.9094
404	PZA	0.9093
405	6ME	0.9093
406	AOS	0.9092
407	8U3	0.9092
408	4BZ	0.9091
409	54G	0.9090
410	TZM	0.9089
411	51R	0.9087
412	3IT	0.9087
413	0W1	0.9086
414	AMS	0.9084
415	AAS	0.9084
416	7N0	0.9081
417	F60	0.9080
418	GLU	0.9080
419	HSO	0.9078
420	XM0	0.9078
421	FHC	0.9077
422	NBZ	0.9077
423	TOF	0.9076
424	CLW	0.9076
425	0TU	0.9076
426	5WZ	0.9074
427	2BG	0.9074
428	EVA	0.9073
429	MLT	0.9073
430	K34	0.9072
431	2HC	0.9071
432	CXH	0.9068
433	VNJ	0.9067
434	QY9	0.9067
435	AMQ	0.9065
436	3U4	0.9065
437	GZQ	0.9065
438	TYR	0.9065
439	12T	0.9064
440	23J	0.9063
441	HC4	0.9063
442	HA5	0.9062
443	N8Y	0.9062
444	2LP	0.9062
445	DQA	0.9062
446	FB2	0.9061
447	44V	0.9061
448	MAJ	0.9060
449	HHR	0.9060
450	HNL	0.9059
451	39O	0.9059
452	JXZ	0.9059
453	HHI	0.9057
454	M1Z	0.9056
455	2O6	0.9056
456	CK2	0.9054
457	AL0	0.9053
458	LYL	0.9053
459	5H1	0.9052
460	2K4	0.9051
461	QIC	0.9051
462	14O	0.9050
463	XIZ	0.9050
464	IJZ	0.9049
465	HY1	0.9048
466	8CM	0.9048
467	GRO	0.9047
468	AW5	0.9046
469	5MI	0.9045
470	NPY	0.9045
471	QXW	0.9045
472	GJP	0.9043
473	EMZ	0.9043
474	6AI	0.9042
475	2EC	0.9042
476	NMJ	0.9041
477	7ME	0.9041
478	VGD	0.9041
479	4NM	0.9041
480	URS	0.9040
481	2FQ	0.9040
482	JA8	0.9039
483	3F0	0.9039
484	264	0.9038
485	GCB	0.9038
486	6Q3	0.9038
487	8S0	0.9038
488	3FH	0.9037
489	QX4	0.9037
490	ENO	0.9037
491	PH3	0.9036
492	4I8	0.9035
493	R2P	0.9034
494	M5H	0.9034
495	0NX	0.9034
496	BEA	0.9033
497	B62	0.9032
498	FAN	0.9032
499	ASP	0.9032
500	15L	0.9031
501	NAG	0.9031
502	RMN	0.9030
503	RAT	0.9030
504	PD2	0.9030
505	PKU	0.9029
506	RM1	0.9029
507	8NX	0.9029
508	1LQ	0.9028
509	2QC	0.9028
510	1L5	0.9028
511	Z5P	0.9027
512	Q88	0.9027
513	FOT	0.9026
514	4M4	0.9024
515	EYV	0.9024
516	IOS	0.9023
517	NTN	0.9022
518	449	0.9021
519	FE DB1	0.9020
520	AN3	0.9019
521	KJY	0.9019
522	JXW	0.9018
523	HDL	0.9017
524	AJY	0.9016
525	5VM	0.9016
526	BZX	0.9014
527	2MI	0.9014
528	RHU	0.9014
529	EYK	0.9012
530	8W9	0.9012
531	36R	0.9011
532	IV2	0.9010
533	CWS	0.9010
534	DEW	0.9009
535	LPK	0.9009
536	261	0.9008
537	DBX	0.9007
538	DEE	0.9007
539	JXN	0.9006
540	1P3	0.9006
541	SRT	0.9006
542	1SQ	0.9005
543	OMD	0.9005
544	JZ4	0.9005
545	QUZ	0.9004
546	G4D	0.9003
547	5VL	0.9002
548	94W	0.9002
549	GAL	0.9001
550	PRA	0.9000
551	APS	0.9000
552	EV0	0.9000
553	AX7	0.8998
554	7WV	0.8997
555	L13	0.8996
556	FDR	0.8996
557	1Z6	0.8995
558	61M	0.8995
559	57O	0.8995
560	SN4	0.8994
561	A13	0.8994
562	XDK	0.8994
563	3M0	0.8993
564	TGX	0.8993
565	363	0.8993
566	XX3	0.8992
567	293	0.8992
568	1NP	0.8990
569	QSC	0.8989
570	V1T	0.8989
571	258	0.8988
572	1P7	0.8988
573	KTJ	0.8987
574	PMB	0.8987
575	2BX	0.8987
576	11S	0.8986
577	LMR	0.8986
578	KDV	0.8986
579	PRF	0.8986
580	2LY	0.8985
581	LQ2	0.8985
582	270	0.8984
583	67N	0.8984
584	5MB	0.8982
585	JBK	0.8982
586	J9W	0.8982
587	SRO	0.8982
588	M58	0.8981
589	5M0	0.8980
590	E1T	0.8980
591	HIS	0.8980
592	MTL	0.8978
593	A09	0.8977
594	YCP	0.8977
595	RJY	0.8977
596	SQ4	0.8976
597	FBV	0.8975
598	F0J	0.8974
599	URC	0.8974
600	RNS	0.8973
601	AOT	0.8973
602	HBA	0.8973
603	NFA	0.8972
604	2A9	0.8971
605	TTY	0.8969
606	6M9	0.8969
607	OW4	0.8969
608	HNH	0.8968
609	M5E	0.8968
610	5B1	0.8967
611	SS1	0.8967
612	8XL	0.8966
613	FA3	0.8966
614	C9E	0.8965
615	RNT	0.8965
616	ZME	0.8965
617	FP1	0.8965
618	5SG	0.8964
619	TYE	0.8964
620	149	0.8964
621	TH7	0.8963
622	R9Y	0.8963
623	BZJ	0.8963
624	EVF	0.8963
625	OAA	0.8959
626	CEE	0.8958
627	FQI	0.8957
628	5IQ	0.8957
629	ZYR	0.8957
630	CTL	0.8957
631	PEL	0.8956
632	CTS	0.8955
633	259	0.8955
634	PEP	0.8955
635	M1Q	0.8954
636	SOE	0.8954
637	VGL	0.8953
638	PBA	0.8953
639	BSX	0.8953
640	1WD	0.8953
641	3MB	0.8952
642	4PN	0.8950
643	TSR	0.8950
644	D8Q	0.8950
645	COI	0.8948
646	8OZ	0.8947
647	GLN	0.8946
648	DX3	0.8944
649	4YS	0.8943
650	HFA	0.8943
651	4VP	0.8941
652	O72	0.8940
653	OK7	0.8939
654	4JM	0.8939
655	4MU	0.8939
656	1LM	0.8939
657	FK1	0.8938
658	NOY	0.8938
659	F9Y	0.8937
660	1AL	0.8937
661	M6Z	0.8937
662	ES1	0.8936
663	PEY	0.8936
664	SYA	0.8935
665	1VK	0.8935
666	A9P	0.8934
667	ES6	0.8933
668	TIU	0.8933
669	H4N	0.8933
670	OVM	0.8933
671	6M4	0.8932
672	27B	0.8932
673	M4S	0.8930
674	ES9	0.8930
675	MWP	0.8930
676	MUA	0.8929
677	4BL	0.8929
678	AY4	0.8928
679	MO8	0.8928
680	K7M	0.8926
681	34D	0.8926
682	8TX	0.8926
683	5Q0	0.8925
684	G3F	0.8925
685	XYL	0.8925
686	FBU	0.8925
687	RB5	0.8925
688	ROI	0.8925
689	F05	0.8924
690	5MK	0.8923
691	G2F	0.8922
692	RSO	0.8922
693	N5J	0.8922
694	4SV	0.8922
695	3BU	0.8922
696	PEA	0.8922
697	F4K	0.8922
698	LYS	0.8921
699	2CK	0.8921
700	FOC	0.8920
701	O45	0.8920
702	JPZ	0.8920
703	DC5	0.8920
704	2AK	0.8919
705	MJ2	0.8919
706	NOJ	0.8918
707	4AV	0.8918
708	BZE	0.8917
709	SWA	0.8916
710	3XX	0.8915
711	CXP	0.8912
712	SKA	0.8911
713	PAC	0.8911
714	NFM	0.8911
715	IT2	0.8910
716	DIU	0.8910
717	36M	0.8909
718	KBG	0.8909
719	P92	0.8909
720	2FG	0.8909
721	42C	0.8908
722	R9S	0.8907
723	PDC	0.8907
724	BP7	0.8906
725	HQY	0.8906
726	OVP	0.8906
727	Q24	0.8905
728	OXC	0.8905
729	3AL	0.8905
730	M1A	0.8904
731	3DO	0.8904
732	2IT	0.8904
733	SDD	0.8904
734	0XT	0.8903
735	XXP	0.8903
736	4HC	0.8903
737	GIV	0.8903
738	4XF	0.8902
739	1QP	0.8901
740	GXL	0.8901
741	LGC	0.8900
742	6CS	0.8900
743	X0W	0.8900
744	SYM	0.8900
745	MXD	0.8900
746	CK1	0.8899
747	IFL	0.8898
748	C53	0.8898
749	BPW	0.8897
750	2CZ	0.8896
751	GXY	0.8893
752	SOR	0.8893
753	KT7	0.8892
754	1SA	0.8891
755	7MK	0.8890
756	HBO	0.8890
757	CWJ	0.8889
758	PRY	0.8889
759	32X	0.8887
760	PQ0	0.8887
761	152	0.8886
762	B40	0.8884
763	6FB	0.8884
764	BRH	0.8882
765	AHR	0.8882
766	4NB	0.8881
767	GCO	0.8879
768	3QM	0.8879
769	NPA	0.8877
770	ISD	0.8876
771	A3M	0.8876
772	UFO	0.8876
773	7B3	0.8874
774	GCS	0.8874
775	C2U	0.8874
776	SOL	0.8872
777	4RU	0.8872
778	CLZ	0.8872
779	MT5	0.8871
780	HPS	0.8871
781	GWM	0.8871
782	7OD	0.8871
783	FK8	0.8871
784	KW8	0.8870
785	M5K	0.8869
786	AJ2	0.8869
787	4JL	0.8869
788	2PG	0.8868
789	4V2	0.8865
790	SEP	0.8864
791	3PG	0.8863
792	HG3	0.8863
793	JKE	0.8863
794	FB1	0.8863
795	28N	0.8862
796	I2E	0.8862
797	HL4	0.8862
798	QX2	0.8861
799	Q6T	0.8861
800	1HN	0.8859
801	VOH	0.8859
802	0RW	0.8858
803	FBJ	0.8858
804	PE0	0.8856
805	HQ9	0.8856
806	RNO	0.8856
807	DI6	0.8855
808	3R6	0.8855
809	PZM	0.8855
810	C2B	0.8854
811	6QF	0.8853
812	M6H	0.8852
813	FBA	0.8851
814	OHP	0.8850
815	SQ7	0.8850
816	ZZZ	0.8850
817	6VD	0.8850
818	M2K	0.8849
819	ADZ	0.8849
820	3QV	0.8846
821	8NY	0.8846
822	AQO	0.8846
823	F12	0.8846
824	GZ2	0.8846
825	AS3	0.8845
826	QBK	0.8844
827	D3G	0.8844
828	DAH	0.8844
829	CS2	0.8843
830	B85	0.8843
831	QWW	0.8842
832	0FN	0.8842
833	92G	0.8841
834	HHA	0.8840
835	TIH	0.8840
836	1BN	0.8840
837	GOJ	0.8840
838	SKF	0.8840
839	DIR	0.8839
840	HJP	0.8839
841	MEW	0.8839
842	6R8	0.8838
843	IF7	0.8838
844	3SL	0.8838
845	SVN	0.8837
846	XHP	0.8837
847	44W	0.8837
848	M0Q	0.8837
849	SNO	0.8834
850	PQK	0.8833
851	ARP	0.8833
852	GZ3	0.8833
853	DGN	0.8832
854	80G	0.8832
855	HPP	0.8831
856	Q02	0.8831
857	M1H	0.8830
858	LEU	0.8830
859	KYA	0.8829
860	7VS	0.8828
861	FWD	0.8827
862	QPR	0.8827
863	HMH	0.8827
864	KDG	0.8826
865	SLC	0.8825
866	APZ	0.8825
867	S0E	0.8825
868	GLA	0.8824
869	ZBT	0.8824
870	PBN	0.8823
871	6M1	0.8822
872	LT1	0.8821
873	54X	0.8820
874	9EW	0.8818
875	4TU	0.8818
876	BK9	0.8818
877	1U6	0.8818
878	AFR	0.8817
879	DA4	0.8817
880	6F0	0.8816
881	MVN	0.8815
882	9BF	0.8814
883	9KT	0.8814
884	7HQ	0.8814
885	DAL DAL	0.8813
886	JYB	0.8812
887	4JC	0.8812
888	4A5	0.8812
889	KMT	0.8811
890	GLT	0.8810
891	R67	0.8808
892	GO8	0.8808
893	AZ8	0.8807
894	5WU	0.8807
895	4XH	0.8805
896	30G	0.8804
897	LCN	0.8803
898	9PY	0.8803
899	9UL	0.8802
900	GAF	0.8802
901	82I	0.8801
902	DGL	0.8800
903	37T	0.8799
904	FDB	0.8799
905	CWM	0.8799
906	B57	0.8798
907	2UB	0.8798
908	X6X	0.8797
909	14J	0.8796
910	NDH	0.8796
911	7MW	0.8796
912	UAN	0.8794
913	XQI	0.8793
914	APG	0.8789
915	TZL	0.8789
916	DTY	0.8789
917	0LH	0.8789
918	9TZ	0.8788
919	9KH	0.8788
920	B4O	0.8787
921	GV9	0.8787
922	2H5	0.8785
923	ALL	0.8785
924	MAQ	0.8785
925	24W	0.8784
926	2D0	0.8784
927	0FO	0.8784
928	MET	0.8784
929	DBJ	0.8783
930	ES0	0.8783
931	CWD	0.8780
932	ANC	0.8780
933	L14	0.8780
934	1DV	0.8779
935	7C3	0.8779
936	DNC	0.8778
937	OW7	0.8777
938	C2A	0.8777
939	JBH	0.8776
940	KBZ	0.8776
941	UNC	0.8774
942	BWD	0.8771
943	XAN	0.8771
944	X48	0.8770
945	ORN	0.8770
946	PFF	0.8769
947	GLO	0.8768
948	CFA	0.8767
949	OTW	0.8767
950	FBT	0.8767
951	1DW	0.8765
952	6J9	0.8765
953	KGK	0.8763
954	3YP	0.8763
955	WOO	0.8762
956	1GN	0.8762
957	9RH	0.8761
958	271	0.8761
959	TAR	0.8760
960	ANF	0.8760
961	75K	0.8760
962	7B4	0.8760
963	XAZ	0.8758
964	49F	0.8757
965	S24	0.8756
966	RUY	0.8756
967	F2W	0.8754
968	MPK	0.8754
969	HCI	0.8754
970	6OT	0.8753
971	IOP	0.8753
972	AA	0.8752
973	JBE	0.8752
974	OQC	0.8752
975	XBT	0.8749
976	YOF	0.8748
977	PHH	0.8748
978	G5V	0.8748
979	B2J	0.8747
980	IWD	0.8746
981	4BF	0.8746
982	8HC	0.8746
983	I4B	0.8745
984	9MG	0.8745
985	2CQ	0.8744
986	HPT	0.8744
987	INE	0.8744
988	13P	0.8743
989	JZA	0.8740
990	TLA	0.8740
991	IP0	0.8738
992	GRE	0.8736
993	OOG	0.8735
994	B55	0.8735
995	95Z	0.8734
996	X11	0.8734
997	FH2	0.8733
998	NVU	0.8733
999	F06	0.8731
1000	TEP	0.8729
1001	CFF	0.8729
1002	BTY	0.8728
1003	Q71	0.8726
1004	ZZ3	0.8725
1005	QUS	0.8724
1006	7WG	0.8723
1007	GNM	0.8723
1008	GUA	0.8723
1009	GBD	0.8722
1010	7NI	0.8722
1011	Q03	0.8721
1012	5XB	0.8721
1013	SOV	0.8718
1014	E4P	0.8718
1015	X05	0.8718
1016	HMU	0.8718
1017	OA3	0.8716
1018	492	0.8716
1019	795	0.8714
1020	ZZT	0.8714
1021	LR5	0.8713
1022	344	0.8712
1023	A9O	0.8712
1024	0OC	0.8710
1025	55D	0.8710
1026	H8N	0.8709
1027	8G0	0.8709
1028	BNT	0.8709
1029	KMY	0.8709
1030	SHG	0.8708
1031	FBF	0.8708
1032	SYR	0.8708
1033	3Y7	0.8707
1034	7Q1	0.8705
1035	T9G	0.8705
1036	9DG	0.8704
1037	PA1	0.8702
1038	MCO	0.8701
1039	60P	0.8700
1040	DFB	0.8700
1041	S7J	0.8698
1042	F69	0.8698
1043	FDK	0.8698
1044	S0W	0.8696
1045	M0W	0.8696
1046	TEO	0.8694
1047	AKH	0.8693
1048	MMS	0.8693
1049	6HO	0.8689
1050	NLE	0.8689
1051	NGT	0.8688
1052	NGW	0.8688
1053	FYU	0.8688
1054	KP6	0.8687
1055	AZA	0.8685
1056	4LW	0.8685
1057	PFB	0.8684
1058	A7N	0.8683
1059	GGL	0.8683
1060	209	0.8682
1061	SME	0.8682
1062	STX	0.8680
1063	GUN	0.8679
1064	3AE	0.8679
1065	24B	0.8679
1066	SXS	0.8678
1067	H33	0.8676
1068	JYD	0.8675
1069	5JQ	0.8675
1070	VK3	0.8674
1071	5JL	0.8673
1072	EOU	0.8672
1073	G12	0.8671
1074	3R4	0.8671
1075	NQ	0.8669
1076	6DP	0.8667
1077	091	0.8667
1078	LAO	0.8665
1079	KFH	0.8664
1080	6X9	0.8663
1081	SV4	0.8661
1082	5TY	0.8661
1083	LZM	0.8659
1084	CFP	0.8659
1085	1LN	0.8658
1086	PEQ	0.8657
1087	SG2	0.8657
1088	YIO	0.8656
1089	NGO	0.8652
1090	L46	0.8652
1091	42A	0.8650
1092	RXA	0.8650
1093	463	0.8647
1094	ADE	0.8647
1095	25W	0.8646
1096	3MG	0.8644
1097	KMH	0.8644
1098	3SK	0.8643
1099	5WY	0.8641
1100	HNQ	0.8640
1101	PYQ	0.8638
1102	3WA	0.8638
1103	L7T	0.8636
1104	MNM	0.8635
1105	50C	0.8635
1106	XLS	0.8634
1107	G3P	0.8632
1108	IFM	0.8632
1109	PMF	0.8632
1110	8GL	0.8631
1111	7ZE	0.8631
1112	GAG	0.8630
1113	FF3	0.8628
1114	2CL	0.8628
1115	F1A	0.8624
1116	ATX	0.8623
1117	RD4	0.8620
1118	5NS	0.8619
1119	23A	0.8617
1120	M6W	0.8617
1121	S7S	0.8615
1122	TVP	0.8614
1123	THA	0.8613
1124	UA5	0.8611
1125	E0O	0.8609
1126	NHG	0.8608
1127	FRU	0.8607
1128	TZC	0.8604
1129	56D	0.8604
1130	B5D	0.8603
1131	I6G	0.8603
1132	IGA	0.8602
1133	GBN	0.8602
1134	OHJ	0.8602
1135	8IG	0.8602
1136	FA6	0.8600
1137	N0Z	0.8600
1138	GSY	0.8599
1139	IDM	0.8595
1140	MAH	0.8593
1141	MB1	0.8591
1142	B41	0.8590
1143	GLY PRO	0.8590
1144	MZG	0.8590
1145	PFL	0.8584
1146	2KA	0.8583
1147	A2F	0.8580
1148	XBZ	0.8578
1149	1PT	0.8576
1150	MCT	0.8574
1151	Q7A	0.8574
1152	JZ5	0.8573
1153	MWJ	0.8571
1154	GCV	0.8570
1155	HH5	0.8570
1156	BPU	0.8570
1157	K4V	0.8568
1158	MT0	0.8566
1159	DMJ	0.8562
1160	SIN	0.8561
1161	WOT	0.8560
1162	MAN	0.8560
1163	2D3	0.8556
1164	4JJ	0.8553
1165	N2M	0.8552
1166	HPA	0.8550
1167	3TC	0.8550
1168	BR9	0.8548
1169	5JC	0.8540
1170	AZG	0.8540
1171	2LT	0.8535
1172	E7R	0.8531
1173	SBK	0.8526
1174	DRG	0.8526
1175	2A7	0.8521
1176	YH7	0.8520
1177	QMR	0.8519

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

Pocket No.: 1; Query (leader) PDB : 1YND; Ligand: SFA; 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: 1ynd.bio1) has 51 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 1YND; Ligand: SFA; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.

This union binding pocket(no: 2) in the query (biounit: 1ynd.bio2) has 51 residues
No:	Leader PDB	Ligand	Sequence Similarity

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