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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4g45	1.53 Å	EC: 1.14.-.-	STRUCTURE OF CYTOCHROME CYP121 IN COMPLEX WITH 2-METHYLQUINO AMINE	MYCOBACTERIUM TUBERCULOSIS	P450 OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR COMPLEX
Ref.:	APPLICATION OF FRAGMENT SCREENING AND MERGING TO TH DISCOVERY OF INHIBITORS OF THE MYCOBACTERIUM TUBERC CYTOCHROME P450 CYP121 ANGEW.CHEM.INT.ED.ENGL. V. 51 9311 2012

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
HEM	A:401;	Part of Protein;	none;	submit data	616.487	C34 H32 Fe N4 O4	Cc1c2...
MQN	A:407; A:408;	Valid; Valid;	none; none;	Kd = 400 uM	158.2	C10 H10 N2	Cc1cc...
SO4	A:402; A:403; A:404; A:405; A:406;	Invalid; Invalid; Invalid; Invalid; Invalid;	none; none; none; none; none;	submit data	96.063	O4 S	[O-]S...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
6RQ8	1.41 Å	EC: 1.14.-.-	CYP121 IN COMPLEX WITH 3-IODO DICYCLOTYROSINE	MYCOBACTERIUM TUBERCULOSIS	CYP121 P450 DICYCLOTYROSINE DERIVATIVES HEME OXIDOREDUCT
Ref.:	STRUCTURE-ACTIVITY RELATIONSHIPS OF CYCLO (L-TYROSYL-L-TYROSINE) DERIVATIVES BINDING TO MYCOB TUBERCULOSIS CYP121: IODINATED ANALOGUES PROMOTE SH HIGH-SPIN ADDUCT. J.MED.CHEM. V. 62 9792 2019

Members (42)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 20 families.
1	4G45	Kd = 400 uM	MQN	C10 H10 N2	Cc1ccc2cc(....
2	4IQ7	Kd = 1561 uM	1G9	C12 H14 N2 O3	C[C@H]1C(=....
3	5IBF	Kd = 140 uM	69W	C15 H14 N4	c1cc(cc(c1....
4	4IPW	Kd = 14.5 uM	1G7	C18 H18 N2 O5	c1cc(ccc1C....
5	5IBD	-	GGJ	C22 H20 N4 O	COc1ccc(cc....
6	4G46	Kd ~ 3 mM	TTY	C9 H8 O4	c1c(c2c(o1....
7	4IPS	Kd = 657 uM	1G4	C18 H20 N2 O3	c1cc(ccc1C....
8	5IBG	Kd = 4.5 uM	69S	C21 H18 N4 O2	c1cc(cc(c1....
9	6GEO	Kd = 3.31 uM	EW2	C21 H16 Cl N5	c1ccc(cc1)....
10	4KTJ	Kd = 1.9 mM	KTJ	C9 H9 N3 O	c1cc(ccc1c....
11	6GEQ	Kd = 218.6 uM	EW5	C21 H17 N5 O	c1ccc(cc1)....
12	5OPA	Kd = 4.16 uM	A2W	C19 H15 F N4	c1ccc(cc1)....
13	6RQ5	Kd = 15.1 uM	KEB	C20 H22 N2 O4	Cc1cc(cc(c....
14	6RQ0	Kd = 1.1 uM	KE2	C19 H20 N2 O4	Cc1cc(ccc1....
15	4KTK	Kd = 180 uM	KTK	C15 H13 N3 O3	c1cc(ccc1c....
16	5IBH	Kd = 275 uM	69R	C19 H17 N5 O2	c1cc(ccc1c....
17	5O4L	-	9KB	C17 H21 F N4 O	c1cc(ccc1C....
18	4KTF	Kd = 40 uM	1TM	C15 H13 N3 O2	c1cc(ccc1c....
19	4IQ9	Kd = 39 uM	1GB	C20 H19 N3 O3	c1ccc2c(c1....
20	4ICT	Kd = 45.6 uM	1ED	C18 H18 N2 O3	c1ccc(cc1)....
21	5IBI	Kd = 6.3 uM	69U	C22 H19 N3 O3	c1cc(ccc1C....
22	4KTL	Kd = 15 uM	1CQ	C21 H17 N3 O3	c1cc(ccc1c....
23	6RQ9	Kd = 10.4 uM	KEQ	C19 H20 N2 O4	COc1ccc(cc....
24	5OP9	Kd = 11.4 uM	BZ6	C20 H18 N4 O	COc1ccc(cc....
25	5O4K	-	9KE	C17 H21 Cl N4 O	c1cc(ccc1C....
26	6RQ3	-	OUC	C20 H22 N2 O4	Cc1cc(cc(c....
27	6RQD	Kd = 1.5 uM	KEW	C18 H17 Cl N2 O4	c1cc(ccc1C....
28	6RQ8	Kd = 0.28 uM	KEH	C18 H17 I N2 O4	c1cc(ccc1C....
29	6RQE	-	KEZ	C20 H18 N2 O4	C#Cc1cc(cc....
30	4G44	Kd = 1.6 mM	TZM	C9 H10 N4	c1cc(cc(c1....
31	6RQ1	Kd = 39.8 uM	KE5	C19 H20 N2 O4	Cc1cc(ccc1....
32	1N4G	-	PYZ	C3 H3 I N2	c1c(cn[nH]....
33	4G1X	Kd = 28 uM	TQU	C11 H9 N5	c1cc2c(cc1....
34	5EDT	Kd = 3.4 mM	5MK	C7 H7 Cl N2 O	c1cc(c(cc1....
35	4G48	Kd = 500 uM	PZB	C15 H12 N2 O3	c1ccc(cc1)....
36	6RQ6	Kd = 12.8 uM	R2H	C18 H17 F N2 O4	c1cc(ccc1C....
37	6RQB	Kd = 0.46 uM	Q47	C18 H17 Br N2 O4	c1cc(ccc1C....
38	5IBE	Kd = 0.74 uM	69M	C21 H18 N4 O	c1cc(cc(c1....
39	4G2G	Kd ~ 2.8 mM	TDH	C14 H11 N3 O2	c1cc(ccc1c....
40	5WP2	Kd = 10.5 uM	YTT	C18 H18 N2 O4	c1cc(ccc1C....
41	4G47	Kd ~ 1.7 mM	TZF	C8 H7 N3 O	c1cc(ccc1n....
42	2IJ7	Kd = 5 uM	TPF	C13 H12 F2 N6 O	c1cc(c(cc1....

70% Homology Family (42)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 18 families.
1	4G45	Kd = 400 uM	MQN	C10 H10 N2	Cc1ccc2cc(....
2	4IQ7	Kd = 1561 uM	1G9	C12 H14 N2 O3	C[C@H]1C(=....
3	5IBF	Kd = 140 uM	69W	C15 H14 N4	c1cc(cc(c1....
4	4IPW	Kd = 14.5 uM	1G7	C18 H18 N2 O5	c1cc(ccc1C....
5	5IBD	-	GGJ	C22 H20 N4 O	COc1ccc(cc....
6	4G46	Kd ~ 3 mM	TTY	C9 H8 O4	c1c(c2c(o1....
7	4IPS	Kd = 657 uM	1G4	C18 H20 N2 O3	c1cc(ccc1C....
8	5IBG	Kd = 4.5 uM	69S	C21 H18 N4 O2	c1cc(cc(c1....
9	6GEO	Kd = 3.31 uM	EW2	C21 H16 Cl N5	c1ccc(cc1)....
10	4KTJ	Kd = 1.9 mM	KTJ	C9 H9 N3 O	c1cc(ccc1c....
11	6GEQ	Kd = 218.6 uM	EW5	C21 H17 N5 O	c1ccc(cc1)....
12	5OPA	Kd = 4.16 uM	A2W	C19 H15 F N4	c1ccc(cc1)....
13	6RQ5	Kd = 15.1 uM	KEB	C20 H22 N2 O4	Cc1cc(cc(c....
14	6RQ0	Kd = 1.1 uM	KE2	C19 H20 N2 O4	Cc1cc(ccc1....
15	4KTK	Kd = 180 uM	KTK	C15 H13 N3 O3	c1cc(ccc1c....
16	5IBH	Kd = 275 uM	69R	C19 H17 N5 O2	c1cc(ccc1c....
17	5O4L	-	9KB	C17 H21 F N4 O	c1cc(ccc1C....
18	4KTF	Kd = 40 uM	1TM	C15 H13 N3 O2	c1cc(ccc1c....
19	4IQ9	Kd = 39 uM	1GB	C20 H19 N3 O3	c1ccc2c(c1....
20	4ICT	Kd = 45.6 uM	1ED	C18 H18 N2 O3	c1ccc(cc1)....
21	5IBI	Kd = 6.3 uM	69U	C22 H19 N3 O3	c1cc(ccc1C....
22	4KTL	Kd = 15 uM	1CQ	C21 H17 N3 O3	c1cc(ccc1c....
23	6RQ9	Kd = 10.4 uM	KEQ	C19 H20 N2 O4	COc1ccc(cc....
24	5OP9	Kd = 11.4 uM	BZ6	C20 H18 N4 O	COc1ccc(cc....
25	5O4K	-	9KE	C17 H21 Cl N4 O	c1cc(ccc1C....
26	6RQ3	-	OUC	C20 H22 N2 O4	Cc1cc(cc(c....
27	6RQD	Kd = 1.5 uM	KEW	C18 H17 Cl N2 O4	c1cc(ccc1C....
28	6RQ8	Kd = 0.28 uM	KEH	C18 H17 I N2 O4	c1cc(ccc1C....
29	6RQE	-	KEZ	C20 H18 N2 O4	C#Cc1cc(cc....
30	4G44	Kd = 1.6 mM	TZM	C9 H10 N4	c1cc(cc(c1....
31	6RQ1	Kd = 39.8 uM	KE5	C19 H20 N2 O4	Cc1cc(ccc1....
32	1N4G	-	PYZ	C3 H3 I N2	c1c(cn[nH]....
33	4G1X	Kd = 28 uM	TQU	C11 H9 N5	c1cc2c(cc1....
34	5EDT	Kd = 3.4 mM	5MK	C7 H7 Cl N2 O	c1cc(c(cc1....
35	4G48	Kd = 500 uM	PZB	C15 H12 N2 O3	c1ccc(cc1)....
36	6RQ6	Kd = 12.8 uM	R2H	C18 H17 F N2 O4	c1cc(ccc1C....
37	6RQB	Kd = 0.46 uM	Q47	C18 H17 Br N2 O4	c1cc(ccc1C....
38	5IBE	Kd = 0.74 uM	69M	C21 H18 N4 O	c1cc(cc(c1....
39	4G2G	Kd ~ 2.8 mM	TDH	C14 H11 N3 O2	c1cc(ccc1c....
40	5WP2	Kd = 10.5 uM	YTT	C18 H18 N2 O4	c1cc(ccc1C....
41	4G47	Kd ~ 1.7 mM	TZF	C8 H7 N3 O	c1cc(ccc1n....
42	2IJ7	Kd = 5 uM	TPF	C13 H12 F2 N6 O	c1cc(c(cc1....

50% Homology Family (42)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 14 families.
1	4G45	Kd = 400 uM	MQN	C10 H10 N2	Cc1ccc2cc(....
2	4IQ7	Kd = 1561 uM	1G9	C12 H14 N2 O3	C[C@H]1C(=....
3	5IBF	Kd = 140 uM	69W	C15 H14 N4	c1cc(cc(c1....
4	4IPW	Kd = 14.5 uM	1G7	C18 H18 N2 O5	c1cc(ccc1C....
5	5IBD	-	GGJ	C22 H20 N4 O	COc1ccc(cc....
6	4G46	Kd ~ 3 mM	TTY	C9 H8 O4	c1c(c2c(o1....
7	4IPS	Kd = 657 uM	1G4	C18 H20 N2 O3	c1cc(ccc1C....
8	5IBG	Kd = 4.5 uM	69S	C21 H18 N4 O2	c1cc(cc(c1....
9	6GEO	Kd = 3.31 uM	EW2	C21 H16 Cl N5	c1ccc(cc1)....
10	4KTJ	Kd = 1.9 mM	KTJ	C9 H9 N3 O	c1cc(ccc1c....
11	6GEQ	Kd = 218.6 uM	EW5	C21 H17 N5 O	c1ccc(cc1)....
12	5OPA	Kd = 4.16 uM	A2W	C19 H15 F N4	c1ccc(cc1)....
13	6RQ5	Kd = 15.1 uM	KEB	C20 H22 N2 O4	Cc1cc(cc(c....
14	6RQ0	Kd = 1.1 uM	KE2	C19 H20 N2 O4	Cc1cc(ccc1....
15	4KTK	Kd = 180 uM	KTK	C15 H13 N3 O3	c1cc(ccc1c....
16	5IBH	Kd = 275 uM	69R	C19 H17 N5 O2	c1cc(ccc1c....
17	5O4L	-	9KB	C17 H21 F N4 O	c1cc(ccc1C....
18	4KTF	Kd = 40 uM	1TM	C15 H13 N3 O2	c1cc(ccc1c....
19	4IQ9	Kd = 39 uM	1GB	C20 H19 N3 O3	c1ccc2c(c1....
20	4ICT	Kd = 45.6 uM	1ED	C18 H18 N2 O3	c1ccc(cc1)....
21	5IBI	Kd = 6.3 uM	69U	C22 H19 N3 O3	c1cc(ccc1C....
22	4KTL	Kd = 15 uM	1CQ	C21 H17 N3 O3	c1cc(ccc1c....
23	6RQ9	Kd = 10.4 uM	KEQ	C19 H20 N2 O4	COc1ccc(cc....
24	5OP9	Kd = 11.4 uM	BZ6	C20 H18 N4 O	COc1ccc(cc....
25	5O4K	-	9KE	C17 H21 Cl N4 O	c1cc(ccc1C....
26	6RQ3	-	OUC	C20 H22 N2 O4	Cc1cc(cc(c....
27	6RQD	Kd = 1.5 uM	KEW	C18 H17 Cl N2 O4	c1cc(ccc1C....
28	6RQ8	Kd = 0.28 uM	KEH	C18 H17 I N2 O4	c1cc(ccc1C....
29	6RQE	-	KEZ	C20 H18 N2 O4	C#Cc1cc(cc....
30	4G44	Kd = 1.6 mM	TZM	C9 H10 N4	c1cc(cc(c1....
31	6RQ1	Kd = 39.8 uM	KE5	C19 H20 N2 O4	Cc1cc(ccc1....
32	1N4G	-	PYZ	C3 H3 I N2	c1c(cn[nH]....
33	4G1X	Kd = 28 uM	TQU	C11 H9 N5	c1cc2c(cc1....
34	5EDT	Kd = 3.4 mM	5MK	C7 H7 Cl N2 O	c1cc(c(cc1....
35	4G48	Kd = 500 uM	PZB	C15 H12 N2 O3	c1ccc(cc1)....
36	6RQ6	Kd = 12.8 uM	R2H	C18 H17 F N2 O4	c1cc(ccc1C....
37	6RQB	Kd = 0.46 uM	Q47	C18 H17 Br N2 O4	c1cc(ccc1C....
38	5IBE	Kd = 0.74 uM	69M	C21 H18 N4 O	c1cc(cc(c1....
39	4G2G	Kd ~ 2.8 mM	TDH	C14 H11 N3 O2	c1cc(ccc1c....
40	5WP2	Kd = 10.5 uM	YTT	C18 H18 N2 O4	c1cc(ccc1C....
41	4G47	Kd ~ 1.7 mM	TZF	C8 H7 N3 O	c1cc(ccc1n....
42	2IJ7	Kd = 5 uM	TPF	C13 H12 F2 N6 O	c1cc(c(cc1....

Polypharmacology

Similar Ligands (2D)

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

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

Similar Ligands (3D)

Ligand no: 1; Ligand: MQN; Similar ligands found: 1143

No:	Ligand	Similarity coefficient
1	4JQ	1.0000
2	0TU	1.0000
3	4YO	0.9979
4	9R5	0.9906
5	FBB	0.9846
6	K2T	0.9845
7	2HQ	0.9792
8	86J	0.9762
9	TGX	0.9760
10	03V	0.9759
11	4FS	0.9747
12	COU	0.9746
13	B62	0.9744
14	5QY	0.9740
15	JB5	0.9735
16	OTW	0.9733
17	0FO	0.9733
18	H42	0.9731
19	2AQ	0.9729
20	XHP	0.9726
21	OCH	0.9724
22	DQU	0.9722
23	ES5	0.9718
24	44W	0.9709
25	CLW	0.9708
26	36R	0.9698
27	3PF	0.9686
28	6ME	0.9686
29	VGD	0.9678
30	MVN	0.9677
31	QX4	0.9673
32	94W	0.9669
33	PH2	0.9665
34	15E	0.9661
35	G3E	0.9654
36	44V	0.9653
37	5VM	0.9648
38	D48	0.9648
39	3QV	0.9637
40	ES2	0.9630
41	ET2	0.9622
42	CWJ	0.9622
43	5WV	0.9611
44	8ZE	0.9611
45	1P8	0.9607
46	KUF	0.9595
47	KDV	0.9592
48	J5I	0.9585
49	J6W	0.9583
50	HDH	0.9575
51	SE2	0.9574
52	TTL	0.9567
53	PRF	0.9560
54	MS9	0.9558
55	A29	0.9552
56	XQ0	0.9552
57	2FY	0.9548
58	2BG	0.9543
59	TYL	0.9541
60	0P6	0.9540
61	4BZ	0.9540
62	BGC	0.9538
63	JAE	0.9532
64	ISN	0.9532
65	CTL	0.9528
66	8CM	0.9527
67	N2I	0.9525
68	BZ3	0.9519
69	9FL	0.9519
70	CWS	0.9518
71	6RQ	0.9517
72	MSR	0.9515
73	HHR	0.9508
74	XIY	0.9506
75	7W1	0.9505
76	5OB	0.9499
77	KKN	0.9498
78	KJH	0.9496
79	CLZ	0.9495
80	12Q	0.9490
81	DIN	0.9489
82	E5X	0.9489
83	ES7	0.9487
84	ABV	0.9487
85	1IT	0.9481
86	9CA	0.9481
87	2FQ	0.9477
88	1M2	0.9477
89	5XC	0.9475
90	MRW	0.9475
91	FDR	0.9471
92	XAZ	0.9468
93	6NT	0.9468
94	7W4	0.9466
95	PXL	0.9466
96	A7W	0.9461
97	SYV	0.9459
98	N8Y	0.9458
99	5QX	0.9458
100	F9Y	0.9450
101	4JT	0.9450
102	IV2	0.9449
103	7MU	0.9446
104	AJV	0.9445
105	Q24	0.9441
106	F4E	0.9440
107	E7Z	0.9440
108	ANN	0.9438
109	0HO	0.9438
110	QBK	0.9438
111	PNZ	0.9438
112	8WO	0.9438
113	PAB	0.9438
114	173	0.9434
115	AJ2	0.9432
116	PHB	0.9430
117	AX7	0.9427
118	BEA	0.9427
119	GJP	0.9424
120	HQT	0.9420
121	KJU	0.9420
122	6KT	0.9420
123	SKA	0.9420
124	MEW	0.9418
125	BHA	0.9417
126	TH7	0.9417
127	IWT	0.9416
128	4BL	0.9414
129	1HN	0.9413
130	DOB	0.9413
131	AZ9	0.9413
132	4RU	0.9412
133	LT2	0.9411
134	2AK	0.9408
135	4M0	0.9407
136	E7S	0.9405
137	M5K	0.9404
138	M6N	0.9404
139	5NI	0.9403
140	4TU	0.9402
141	FYU	0.9402
142	14O	0.9402
143	FA0	0.9401
144	SNU	0.9400
145	MUA	0.9400
146	0HN	0.9400
147	15N	0.9400
148	NPO	0.9397
149	BCU	0.9395
150	I3A	0.9395
151	BZX	0.9394
152	INO	0.9394
153	HBD	0.9393
154	I3E	0.9393
155	6NI	0.9392
156	2HU	0.9392
157	AN3	0.9392
158	QUZ	0.9389
159	4P5	0.9388
160	BZ2	0.9387
161	AQO	0.9385
162	HMH	0.9385
163	3NY	0.9383
164	5MI	0.9383
165	F60	0.9383
166	11S	0.9381
167	ISZ	0.9380
168	J9T	0.9379
169	AJY	0.9379
170	CFI	0.9379
171	1P7	0.9377
172	3A9	0.9376
173	JAW	0.9376
174	PQ0	0.9375
175	NPY	0.9375
176	4BY	0.9374
177	DMD	0.9372
178	5H1	0.9371
179	4Z4	0.9371
180	URC	0.9371
181	CH9	0.9371
182	2ZM	0.9370
183	3Z8	0.9370
184	1F1	0.9369
185	2K4	0.9367
186	UNJ	0.9366
187	PE0	0.9366
188	4WL	0.9366
189	4HC	0.9364
190	3ID	0.9363
191	DHB	0.9362
192	6AI	0.9362
193	PBZ	0.9362
194	ZYR	0.9361
195	E1T	0.9359
196	FK1	0.9358
197	1KP	0.9358
198	3ZB	0.9358
199	5MB	0.9357
200	4A3	0.9357
201	5CU	0.9357
202	J9W	0.9356
203	H4N	0.9353
204	JLZ	0.9352
205	5GU	0.9350
206	B5D	0.9350
207	2MI	0.9349
208	ABI	0.9349
209	PKU	0.9348
210	3HM	0.9348
211	MR1	0.9348
212	EN1	0.9347
213	BPN	0.9347
214	K97	0.9346
215	BTY	0.9345
216	GLC	0.9345
217	ES9	0.9344
218	4AA	0.9341
219	BHO	0.9341
220	2EC	0.9341
221	C1M	0.9338
222	J9N	0.9338
223	J9Q	0.9338
224	ICB	0.9337
225	1Y6	0.9337
226	8H8	0.9337
227	4MA	0.9336
228	M1Q	0.9336
229	FDB	0.9335
230	5NU	0.9334
231	AZ8	0.9333
232	JG8	0.9333
233	FHB	0.9332
234	P92	0.9331
235	ESP	0.9330
236	TZF	0.9329
237	2K8	0.9329
238	4NC	0.9328
239	NNO	0.9328
240	7HQ	0.9326
241	3DM	0.9325
242	I1E	0.9323
243	GXY	0.9323
244	XX2	0.9321
245	TT4	0.9320
246	0JD	0.9320
247	GVG	0.9320
248	SNO	0.9319
249	A5E	0.9318
250	5JQ	0.9317
251	P72	0.9315
252	XM0	0.9314
253	2HO	0.9312
254	5RO	0.9311
255	KTJ	0.9311
256	ODO	0.9310
257	RM1	0.9310
258	4ZA	0.9308
259	EA1	0.9305
260	R8V	0.9305
261	270	0.9303
262	12T	0.9303
263	MYJ	0.9303
264	CPZ	0.9303
265	OTR	0.9303
266	826	0.9302
267	428	0.9302
268	5LA	0.9301
269	0N7	0.9301
270	174	0.9301
271	NIZ	0.9301
272	93K	0.9300
273	L22	0.9300
274	NDH	0.9300
275	JDN	0.9299
276	8NY	0.9295
277	R9Y	0.9291
278	069	0.9290
279	75K	0.9289
280	ESX	0.9288
281	HQD	0.9288
282	PIM	0.9287
283	5B1	0.9283
284	KT7	0.9282
285	2KA	0.9282
286	6FZ	0.9282
287	FHC	0.9282
288	PIY	0.9281
289	67N	0.9280
290	4V2	0.9279
291	92K	0.9277
292	JB8	0.9274
293	4FA	0.9270
294	3MB	0.9269
295	PHU	0.9269
296	M2K	0.9267
297	344	0.9265
298	X0U	0.9265
299	Z82	0.9264
300	97T	0.9264
301	OVM	0.9263
302	2D0	0.9260
303	DBH	0.9259
304	AC6	0.9256
305	8TX	0.9256
306	P9P	0.9255
307	5RN	0.9253
308	HHS	0.9251
309	2A9	0.9250
310	HQJ	0.9250
311	0BP	0.9247
312	HIS	0.9247
313	5JL	0.9246
314	B55	0.9246
315	4NB	0.9246
316	GCS	0.9246
317	M1A	0.9244
318	3F0	0.9244
319	CHB	0.9243
320	NSP	0.9242
321	TPA	0.9242
322	PEY	0.9240
323	3HA	0.9240
324	8XL	0.9240
325	NID	0.9235
326	DRL	0.9231
327	HX4	0.9230
328	4NM	0.9228
329	CWM	0.9227
330	M4T	0.9224
331	ES0	0.9223
332	7VP	0.9220
333	0FN	0.9220
334	JBK	0.9217
335	6M9	0.9217
336	2CK	0.9217
337	QWN	0.9214
338	QSB	0.9214
339	92P	0.9213
340	27B	0.9213
341	1A7	0.9212
342	BZJ	0.9211
343	MO8	0.9211
344	8W9	0.9211
345	SLS	0.9211
346	9TW	0.9210
347	3M0	0.9210
348	FE DB1	0.9207
349	B57	0.9207
350	BNL	0.9205
351	G3F	0.9205
352	5TY	0.9204
353	PYQ	0.9204
354	Q88	0.9204
355	APZ	0.9202
356	LQ2	0.9201
357	C2Y	0.9201
358	GAL	0.9201
359	INE	0.9200
360	8WT	0.9199
361	1SQ	0.9197
362	ICO	0.9196
363	JA8	0.9196
364	L5V	0.9194
365	39O	0.9194
366	IHB	0.9193
367	BDP	0.9191
368	2LY	0.9189
369	0FK	0.9188
370	M4E	0.9187
371	A7H	0.9187
372	K34	0.9185
373	SW7	0.9184
374	8HC	0.9182
375	RNO	0.9182
376	717	0.9182
377	9ZE	0.9180
378	FBM	0.9180
379	GZL	0.9179
380	F9P	0.9178
381	68A	0.9177
382	Q71	0.9176
383	1LQ	0.9176
384	NCT	0.9175
385	8OZ	0.9174
386	1NP	0.9174
387	8NX	0.9173
388	ADZ	0.9172
389	CK2	0.9169
390	7B4	0.9167
391	42A	0.9166
392	PJW	0.9166
393	6FB	0.9162
394	20J	0.9160
395	24W	0.9160
396	5SG	0.9159
397	NOJ	0.9159
398	5Q0	0.9158
399	F05	0.9158
400	QXW	0.9156
401	PBA	0.9154
402	5IQ	0.9153
403	ESI	0.9153
404	MAQ	0.9152
405	1DW	0.9151
406	4YS	0.9150
407	1PT	0.9150
408	N0Z	0.9149
409	JBH	0.9149
410	N5J	0.9149
411	4MU	0.9147
412	AA	0.9146
413	YRL	0.9144
414	1LM	0.9143
415	DE5	0.9141
416	3R4	0.9141
417	ANF	0.9140
418	4CS	0.9138
419	SOE	0.9138
420	ES1	0.9137
421	L99	0.9136
422	32X	0.9135
423	3NT	0.9134
424	VK3	0.9133
425	JPZ	0.9132
426	4XR	0.9131
427	NQ	0.9130
428	KOJ	0.9128
429	TTY	0.9128
430	SHA	0.9127
431	5VL	0.9125
432	8S0	0.9124
433	TWO	0.9122
434	B60	0.9121
435	ZZZ	0.9117
436	259	0.9117
437	9EW	0.9117
438	LZM	0.9116
439	O72	0.9115
440	HBA	0.9114
441	PZM	0.9114
442	DRG	0.9113
443	0RW	0.9112
444	ROI	0.9112
445	6TZ	0.9112
446	HC4	0.9111
447	OAA	0.9111
448	ASO	0.9110
449	HBO	0.9109
450	DHR	0.9109
451	AKG	0.9109
452	GTQ	0.9108
453	JBZ	0.9107
454	OW4	0.9107
455	3HB	0.9107
456	RXA	0.9106
457	VXX	0.9105
458	BPY	0.9103
459	MPV	0.9102
460	G12	0.9100
461	6QF	0.9098
462	6VD	0.9098
463	KJY	0.9097
464	NAG	0.9097
465	HQY	0.9096
466	0F9	0.9096
467	GNM	0.9094
468	HA5	0.9094
469	SN4	0.9093
470	AMH	0.9092
471	MWP	0.9091
472	IPB	0.9090
473	36Y	0.9090
474	AZA	0.9090
475	8IG	0.9088
476	DX3	0.9087
477	HNT	0.9086
478	9DG	0.9085
479	F31	0.9083
480	37T	0.9082
481	6M4	0.9082
482	XAN	0.9082
483	52C	0.9082
484	4I8	0.9080
485	X0V	0.9077
486	GDE	0.9077
487	JYB	0.9076
488	3AB	0.9074
489	GAB	0.9072
490	GVY	0.9072
491	GWM	0.9071
492	54G	0.9071
493	0W8	0.9071
494	TSS	0.9071
495	1Z6	0.9070
496	OVV	0.9070
497	GF4	0.9069
498	TOF	0.9068
499	5RG	0.9068
500	B53	0.9066
501	IFP	0.9065
502	HLR	0.9065
503	AHR	0.9064
504	5M0	0.9063
505	4ME	0.9063
506	WCE	0.9059
507	8GC	0.9058
508	6GU	0.9057
509	DNA	0.9055
510	KTW	0.9054
511	W81	0.9054
512	GO2	0.9052
513	OK7	0.9051
514	FCR	0.9050
515	M3H	0.9050
516	BPU	0.9046
517	SVN	0.9044
518	JND	0.9042
519	HHA	0.9040
520	4JC	0.9040
521	GCU	0.9040
522	6AP	0.9037
523	RMN	0.9037
524	TSU	0.9035
525	PPY	0.9034
526	H5B	0.9033
527	PAC	0.9033
528	DNF	0.9032
529	SAL	0.9032
530	5HN	0.9031
531	HX3	0.9030
532	GUN	0.9029
533	2F6	0.9029
534	HLZ	0.9028
535	A2F	0.9028
536	SAN	0.9028
537	2HC	0.9028
538	24B	0.9028
539	MLT	0.9028
540	DHQ	0.9027
541	TH0	0.9027
542	7VS	0.9026
543	IGA	0.9026
544	LNR	0.9024
545	CFF	0.9024
546	1WG	0.9024
547	UFO	0.9024
548	0XT	0.9023
549	9KT	0.9023
550	2AL	0.9023
551	LDP	0.9022
552	H4E	0.9020
553	2QC	0.9020
554	THA	0.9020
555	HH5	0.9019
556	1XM	0.9018
557	AAS	0.9017
558	36E	0.9015
559	JU2	0.9015
560	Q77	0.9015
561	3BU	0.9014
562	FUD	0.9014
563	ASC	0.9012
564	ZZT	0.9012
565	AC0	0.9012
566	FQI	0.9011
567	SKM	0.9011
568	4XH	0.9010
569	HHI	0.9010
570	BEN	0.9009
571	NCA	0.9009
572	53C	0.9008
573	YH7	0.9007
574	M4S	0.9006
575	3BZ	0.9005
576	141	0.9005
577	N91	0.9004
578	9FE	0.9003
579	0CU	0.9003
580	H8N	0.9002
581	ANC	0.9001
582	BRT	0.9000
583	VNL	0.9000
584	TYR	0.8998
585	BEZ	0.8997
586	6PC	0.8997
587	TIY	0.8996
588	PRZ	0.8995
589	BOA	0.8994
590	30G	0.8994
591	SX1	0.8993
592	BAM	0.8991
593	BE2	0.8990
594	4J8	0.8987
595	4SX	0.8986
596	4LW	0.8986
597	4HM	0.8985
598	4SV	0.8984
599	9MG	0.8984
600	7B3	0.8983
601	5MK	0.8982
602	AEF	0.8982
603	D07	0.8981
604	6CS	0.8981
605	M45	0.8980
606	OW7	0.8977
607	JBQ	0.8977
608	DX4	0.8977
609	3VX	0.8974
610	EVA	0.8974
611	4FH	0.8973
612	42J	0.8970
613	R20	0.8970
614	Z5P	0.8970
615	5NE	0.8970
616	PBC	0.8970
617	363	0.8969
618	CFP	0.8968
619	JBE	0.8968
620	PQK	0.8968
621	82I	0.8967
622	BCP	0.8967
623	209	0.8966
624	FAN	0.8966
625	1L5	0.8966
626	XYP	0.8964
627	NFM	0.8962
628	3DO	0.8962
629	3WA	0.8962
630	DEN	0.8962
631	EKZ	0.8961
632	FBS	0.8961
633	2CQ	0.8961
634	PH3	0.8961
635	DPZ	0.8960
636	MAJ	0.8960
637	YCP	0.8959
638	QWW	0.8958
639	SOR	0.8958
640	DHK	0.8958
641	HMU	0.8957
642	UNU	0.8955
643	SRT	0.8953
644	HH8	0.8953
645	0W1	0.8953
646	F4K	0.8953
647	QX2	0.8952
648	F2W	0.8950
649	APG	0.8949
650	L14	0.8948
651	7ME	0.8948
652	AZG	0.8947
653	AL0	0.8945
654	PHE	0.8944
655	SRO	0.8944
656	3U4	0.8943
657	DYA	0.8942
658	549	0.8940
659	DBX	0.8940
660	OVP	0.8940
661	PHH	0.8938
662	DGJ	0.8938
663	AMS	0.8937
664	B56	0.8936
665	ES6	0.8936
666	3IT	0.8936
667	45L	0.8935
668	QSH	0.8935
669	NBZ	0.8935
670	NIO	0.8935
671	IAC	0.8934
672	PD2	0.8932
673	3AE	0.8932
674	PDC	0.8931
675	OQC	0.8931
676	8NB	0.8929
677	KBZ	0.8929
678	OGA	0.8928
679	9TZ	0.8928
680	NMJ	0.8927
681	CTS	0.8926
682	XBT	0.8925
683	V1T	0.8924
684	3FH	0.8923
685	0NX	0.8922
686	KYA	0.8922
687	795	0.8921
688	268	0.8921
689	Q6T	0.8920
690	SWA	0.8919
691	D3G	0.8918
692	3J8	0.8918
693	S7J	0.8917
694	CXH	0.8917
695	PEA	0.8917
696	LI6	0.8916
697	M1E	0.8916
698	14J	0.8915
699	K5W	0.8915
700	IND	0.8914
701	JXN	0.8914
702	7ZE	0.8912
703	150	0.8912
704	DEE	0.8912
705	S0E	0.8910
706	7NI	0.8910
707	NTN	0.8910
708	FBF	0.8909
709	7MX	0.8909
710	BK9	0.8907
711	C9E	0.8907
712	S60	0.8906
713	H33	0.8906
714	PZA	0.8906
715	G6D	0.8906
716	42C	0.8905
717	RD4	0.8902
718	M1H	0.8902
719	25W	0.8902
720	CN0	0.8901
721	4VP	0.8901
722	MCT	0.8901
723	QIV	0.8900
724	BGU	0.8898
725	FGZ	0.8898
726	RHU	0.8898
727	XDE	0.8897
728	GYE	0.8897
729	X0W	0.8896
730	KMY	0.8896
731	DHC	0.8896
732	ARP	0.8894
733	TC7	0.8890
734	ZEC	0.8889
735	R8S	0.8887
736	BZI	0.8887
737	NDM	0.8886
738	2ZQ	0.8885
739	TIU	0.8883
740	M0Q	0.8883
741	VGL	0.8883
742	LR5	0.8882
743	5WY	0.8882
744	GTR	0.8882
745	NDG	0.8880
746	E3X	0.8880
747	EUE	0.8879
748	P9E	0.8878
749	OA3	0.8878
750	E35	0.8877
751	EQT	0.8877
752	290	0.8876
753	V55	0.8876
754	1MC	0.8876
755	JKE	0.8875
756	28N	0.8874
757	F4Z	0.8872
758	LZ1	0.8871
759	GLA	0.8871
760	N4E	0.8870
761	FBW	0.8870
762	APS	0.8870
763	9UL	0.8870
764	8G0	0.8869
765	ENO	0.8869
766	PFB	0.8867
767	HA7	0.8866
768	2GS	0.8866
769	ALE	0.8866
770	FP1	0.8865
771	LGC	0.8865
772	ZBT	0.8865
773	YZM	0.8865
774	PXM	0.8863
775	FQX	0.8862
776	EYK	0.8861
777	3R6	0.8861
778	BZF	0.8861
779	PO6	0.8860
780	RA7	0.8860
781	IFL	0.8859
782	XQG	0.8858
783	GRE	0.8858
784	PYD	0.8858
785	XBZ	0.8857
786	4JP	0.8857
787	IDM	0.8857
788	NF3	0.8857
789	EXD	0.8855
790	4HO	0.8855
791	LKA	0.8855
792	6M1	0.8853
793	TEP	0.8852
794	23A	0.8852
795	Q02	0.8851
796	4M4	0.8851
797	HPS	0.8850
798	EVF	0.8850
799	KIB	0.8850
800	X48	0.8850
801	ONR	0.8850
802	2H5	0.8850
803	N2Z	0.8848
804	5MH	0.8848
805	A7N	0.8847
806	8MO	0.8847
807	XRG	0.8846
808	URF	0.8845
809	MD6	0.8844
810	HKD	0.8842
811	51R	0.8839
812	NGA	0.8835
813	DPT	0.8833
814	39A	0.8831
815	4JM	0.8830
816	HSO	0.8829
817	0CT	0.8829
818	DIU	0.8825
819	261	0.8824
820	UFV	0.8823
821	45C	0.8822
822	F1A	0.8822
823	1WC	0.8822
824	UAN	0.8821
825	0R1	0.8820
826	SS1	0.8819
827	Y3L	0.8818
828	K22	0.8818
829	MZG	0.8818
830	PZI	0.8818
831	MPI	0.8817
832	4KL	0.8816
833	G2F	0.8814
834	2BX	0.8814
835	149	0.8814
836	XYD	0.8813
837	43M	0.8812
838	UNC	0.8812
839	2HG	0.8812
840	JZ3	0.8811
841	6F0	0.8810
842	GVH	0.8809
843	ADE	0.8809
844	SHG	0.8809
845	N3W	0.8808
846	4JO	0.8807
847	SKF	0.8806
848	TDR	0.8806
849	MWM	0.8806
850	4NZ	0.8805
851	X11	0.8804
852	5JC	0.8804
853	X05	0.8803
854	A2G	0.8802
855	1WD	0.8802
856	LMR	0.8800
857	HRM	0.8800
858	ALL	0.8800
859	3QM	0.8800
860	F0J	0.8799
861	275	0.8799
862	C2B	0.8799
863	9AP	0.8798
864	7WV	0.8798
865	GCB	0.8798
866	EUG	0.8797
867	GZ2	0.8796
868	K32	0.8796
869	1XA	0.8796
870	RUY	0.8795
871	VOH	0.8794
872	4XV	0.8794
873	SXS	0.8794
874	WOO	0.8793
875	7O4	0.8791
876	TAG	0.8790
877	DBJ	0.8789
878	4ZE	0.8788
879	M58	0.8787
880	ZVO	0.8786
881	IUR	0.8786
882	4JJ	0.8786
883	2AC	0.8785
884	MWJ	0.8784
885	GLN	0.8784
886	L03	0.8783
887	S2G	0.8782
888	MT0	0.8781
889	QMP	0.8780
890	3OC	0.8778
891	TMG	0.8777
892	RAT	0.8776
893	4CL	0.8776
894	BNF	0.8776
895	JZ2	0.8773
896	XXP	0.8773
897	GDL	0.8772
898	GAF	0.8772
899	RSO	0.8772
900	4VY	0.8771
901	LZ2	0.8770
902	JF2	0.8770
903	BHQ	0.8768
904	23J	0.8768
905	86L	0.8768
906	5UC	0.8767
907	6E8	0.8767
908	CXF	0.8767
909	QUS	0.8766
910	YPN	0.8766
911	2ZV	0.8765
912	2O6	0.8764
913	4HB	0.8763
914	ZXD	0.8763
915	495	0.8763
916	LDR	0.8762
917	AKH	0.8761
918	5WZ	0.8760
919	NOY	0.8760
920	AY4	0.8760
921	K6X	0.8759
922	ST3	0.8758
923	AES	0.8758
924	BSP	0.8754
925	MAN	0.8754
926	XCZ	0.8753
927	091	0.8753
928	5NS	0.8753
929	27Y	0.8753
930	IF7	0.8753
931	SWD	0.8753
932	K82	0.8752
933	7VJ	0.8751
934	Q7A	0.8750
935	2FG	0.8750
936	JUG	0.8747
937	G1O	0.8746
938	JTH	0.8745
939	2YU	0.8745
940	ADA	0.8744
941	C2U	0.8743
942	DHY	0.8742
943	X09	0.8740
944	WBU	0.8740
945	HPA	0.8740
946	OXC	0.8740
947	QSC	0.8739
948	AX3	0.8739
949	80G	0.8738
950	34A	0.8737
951	680	0.8736
952	BR9	0.8736
953	NDD	0.8735
954	QPR	0.8735
955	TCA	0.8735
956	FOT	0.8734
957	XCG	0.8733
958	E1K	0.8733
959	HZQ	0.8732
960	IT2	0.8730
961	HHH	0.8729
962	GJS	0.8729
963	2MP	0.8727
964	7MW	0.8726
965	4XS	0.8726
966	GGL	0.8726
967	RB5	0.8725
968	JFJ	0.8724
969	GGB	0.8724
970	A1U	0.8723
971	X6X	0.8722
972	FBA	0.8721
973	CKA	0.8720
974	GLO	0.8720
975	EE8	0.8720
976	1SA	0.8717
977	GM7	0.8715
978	F5B	0.8715
979	SJK	0.8715
980	FA1	0.8715
981	ICP	0.8713
982	N1E	0.8712
983	M6Z	0.8712
984	36M	0.8712
985	PFL	0.8710
986	HNK	0.8709
987	M0W	0.8709
988	2LP	0.8709
989	GLU	0.8709
990	LYL	0.8708
991	1XN	0.8708
992	5WX	0.8708
993	4JL	0.8707
994	56D	0.8707
995	X8D	0.8706
996	JVN	0.8706
997	3VS	0.8705
998	ORO	0.8704
999	10L	0.8702
1000	BTE	0.8702
1001	JF1	0.8700
1002	TLD	0.8700
1003	BBK	0.8699
1004	54Z	0.8697
1005	1VK	0.8697
1006	CIT	0.8696
1007	3W8	0.8695
1008	NVU	0.8695
1009	ZZA	0.8694
1010	JP2	0.8693
1011	3XX	0.8693
1012	KBG	0.8692
1013	6MP	0.8692
1014	AP4	0.8691
1015	0R0	0.8691
1016	P3K	0.8690
1017	K17	0.8690
1018	FK8	0.8689
1019	4ZC	0.8689
1020	2FT	0.8687
1021	QIC	0.8686
1022	GZ8	0.8685
1023	3RK	0.8684
1024	DHS	0.8683
1025	TBS	0.8682
1026	HT4	0.8682
1027	L3Q	0.8680
1028	M78	0.8680
1029	B85	0.8680
1030	HJP	0.8679
1031	9NB	0.8678
1032	R2P	0.8678
1033	KTA	0.8677
1034	VNJ	0.8674
1035	92G	0.8672
1036	QAT	0.8672
1037	PA1	0.8672
1038	SJ5	0.8671
1039	QBM	0.8671
1040	537	0.8671
1041	TM7	0.8671
1042	FLV	0.8670
1043	226	0.8670
1044	54X	0.8670
1045	OKG	0.8669
1046	AW5	0.8668
1047	5GT	0.8667
1048	IDH	0.8667
1049	4CM	0.8666
1050	HCI	0.8665
1051	BP1	0.8665
1052	MNM	0.8664
1053	ODK	0.8663
1054	61M	0.8663
1055	0FR	0.8660
1056	DA4	0.8660
1057	1DV	0.8659
1058	3VQ	0.8659
1059	WSD	0.8659
1060	EGR	0.8658
1061	PRL	0.8657
1062	GJZ	0.8657
1063	XIZ	0.8657
1064	L7T	0.8651
1065	9DA	0.8651
1066	SYA	0.8648
1067	9RW	0.8647
1068	BIK	0.8646
1069	QOS	0.8646
1070	7WA	0.8646
1071	IJZ	0.8645
1072	K37	0.8642
1073	2FX	0.8642
1074	H7Y	0.8640
1075	492	0.8640
1076	JZ9	0.8640
1077	4VS	0.8640
1078	FBV	0.8639
1079	UEG	0.8639
1080	K4V	0.8639
1081	3SK	0.8637
1082	H62	0.8633
1083	SQ4	0.8632
1084	1P3	0.8631
1085	IOS	0.8630
1086	SMN	0.8628
1087	BNT	0.8627
1088	ITE	0.8626
1089	6BL	0.8624
1090	I6G	0.8623
1091	12B	0.8622
1092	KGK	0.8619
1093	BQ2	0.8618
1094	9HX	0.8618
1095	8K2	0.8618
1096	QAS	0.8617
1097	AZM	0.8616
1098	E3D	0.8616
1099	PX7	0.8613
1100	NGT	0.8611
1101	SQ7	0.8611
1102	7HP	0.8611
1103	SME	0.8610
1104	C53	0.8610
1105	7WR	0.8609
1106	DHI	0.8608
1107	JFD	0.8606
1108	5GV	0.8600
1109	Y8I	0.8599
1110	QY9	0.8599
1111	7WG	0.8597
1112	F12	0.8596
1113	DOR	0.8595
1114	0TR	0.8592
1115	6X9	0.8590
1116	JRB	0.8590
1117	HHT	0.8590
1118	K7H	0.8589
1119	TXW	0.8587
1120	DDU	0.8586
1121	GLT	0.8583
1122	G4D	0.8583
1123	FBT	0.8579
1124	OMD	0.8576
1125	N2M	0.8574
1126	FDK	0.8570
1127	293	0.8570
1128	M1Z	0.8568
1129	ES4	0.8566
1130	JXZ	0.8565
1131	XXG	0.8564
1132	LEL	0.8562
1133	K44	0.8558
1134	PM6	0.8555
1135	4NP	0.8554
1136	BVA	0.8554
1137	DMJ	0.8554
1138	I2E	0.8550
1139	DVQ	0.8550
1140	P80	0.8539
1141	TAR	0.8528
1142	EMZ	0.8527
1143	FH2	0.8509

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

Pocket No.: 1; Query (leader) PDB : 6RQ8; Ligand: KEH; 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: 6rq8.bio1) has 37 residues
No:	Leader PDB	Ligand	Sequence Similarity

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