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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6QOJ	2.02 Å	EC: 2.1.1.228	CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH FRAGMENT 13 (4- H YDROXYQUINAZOLINE)	MYCOBACTERIUM ABSCESSUS	TRMD TRNA METHYLTRANSFERASE SPOUT METHYLTRANSFERASE TRANS
Ref.:	FRAGMENT-BASED DISCOVERY OF A NEW CLASS OF INHIBITO TARGETING MYCOBACTERIAL TRNA MODIFICATION. NUCLEIC ACIDS RES. V. 48 8099 2020

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
JBH	A:301; B:301;	Valid; Valid;	none; none;	submit data		148.162	C8 H8 N2 O	c1ccc...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
6QRB	1.66 Å	EC: 2.1.1.228	CRYSTAL STRUCTURE OF TRMD, A TRNA-(N1G37) METHYLTRANSFERASE, MYCOBACTERIUM ABSCESSUS IN COMPLEX WITH INHIBITOR	MYCOBACTERIUM ABSCESSUS	TRMD TRNA METHYLTRANSFERASE SPOUT METHYLTRANSFERASE TRANS
Ref.:	DEVELOPMENT OF INHIBITORS AGAINST MYCOBACTERIUM ABS TRNA (M 1 G37) METHYLTRANSFERASE (TRMD) USING FRAGM APPROACHES. J.MED.CHEM. V. 62 7210 2019

Members (54)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 5 families.
1	6QQR	-	JDN	C8 H8 B N O2	B(c1ccc2c(....
2	6QOA	-	JBN	C4 H4 N2 O2	c1cnoc1C(=....
3	6QOF	-	ADE	C5 H5 N5	c1[nH]c2c(....
4	6QQY	Kd = 0.5 uM	JD2	C18 H14 N6	c1ccnc(c1)....
5	6QRF	Kd = 33 uM	JF5	C11 H10 N2 O2	c1ccc(cc1)....
6	6QOJ	-	JBH	C8 H8 N2 O	c1ccc2c(c1....
7	6QR5	Kd = 0.49 uM	JFH	C23 H25 N5	c1cc(ccc1C....
8	6QOR	-	JBK	C6 H6 N2 O3	c1cc(c(c(c....
9	6QON	-	J9W	C8 H5 N O3	c1ccc2c(c1....
10	6QOO	-	JAB	C4 H4 N2 O S	c1cnoc1C(=....
11	6QOK	-	J9T	C7 H8 N2 O2	COC(=O)c1c....
12	6QR6	Kd = 0.027 uM	JCK	C24 H24 N6	c1cc(ccc1C....
13	6QQS	Kd = 110 uM	JCZ	C11 H10 N4	c1cc(cc2c1....
14	6QQZ	Kd = 0.18 uM	JEB	C18 H14 N6	c1cc(cnc1)....
15	6QO4	-	97T	C9 H7 N O2	c1ccc(c(c1....
16	6QQW	Kd = 19 uM	JDQ	C18 H16 N4	c1ccc(cc1)....
17	6QQT	Kd = 59 uM	JCH	C19 H18 N4 O	COc1ccc(cc....
18	6QQQ	Kd = 6.7 uM	JDE	C17 H15 N3 O3	COc1cc(cc(....
19	6QOC	-	J9Q	C9 H8 N2 O	c1ccc(c(c1....
20	6NW6	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....
21	6QO3	-	J9N	C7 H7 N3 S	c1cc(sc1)C....
22	6QR7	Kd = 70 nM	JEK	C25 H26 N6	c1cc(ccc1C....
23	6QOT	Kd = 0.17 mM	6SD	C10 H11 N3 O	COc1ccc(cc....
24	6QR0	Kd = 0.12 uM	JFB	C18 H14 N6	c1cc(cc2c1....
25	6QR9	Kd = 190 nM	JEE	C24 H24 N6 O	c1cc(ccc1C....
26	6QOQ	-	JAE	C7 H6 N2 S	c1cc2c(cc1....
27	6QOD	-	FBB	C7 H5 F N2 S	c1cc2c(cc1....
28	6QOV	-	JAH	C12 H12 N2	c1ccc(cc1)....
29	6QR1	Kd = 8.5 uM	JFT	C18 H13 Cl N6	c1cc(cnc1)....
30	6QOI	-	ABV	C7 H6 N2 S	c1ccc2c(c1....
31	6QRC	Kd = 13 uM	JFE	C19 H18 N4 O	COc1cccc(c....
32	6QOW	-	JBZ	C9 H7 N O3 S	COc1ccc2c(....
33	6QRE	Kd = 14 uM	JCQ	C12 H12 N2 O3	COc1cccc(c....
34	6QOX	-	JA5	C9 H9 N O3 S	COC(=O)c1c....
35	6QOG	-	JA8	C7 H5 Br N2 S	c1cc2c(cc1....
36	6QR2	Kd = 3.2 uM	JQB	C18 H14 N6 O	c1cc(c(nc1....
37	6QQV	Kd = 12 uM	JEW	C19 H15 N5	c1ccc(c(c1....
38	6NW7	-	SAH	C14 H20 N6 O5 S	c1nc(c2c(n....
39	6QRA	Kd = 710 nM	JDK	C24 H27 N5	c1cc(ccc1C....
40	6QOS	-	GOJ	C6 H8 N2 O2	CCOC(=O)c1....
41	6QRB	Kd = 27 nM	JEQ	C25 H26 N6	c1ccc(cc1)....
42	6QR8	Kd = 0.073 uM	JDH	C25 H27 N7	CN1CCN(CC1....
43	6QO6	-	5OB	C8 H8 N2 O	COc1ccc2c(....
44	6QRD	Kd = 100 nM	JEH	C27 H31 N7	CC(C)N1CCN....
45	6QOH	-	6GU	C5 H4 Cl N5	c1[nH]c2c(....
46	6QOP	-	JBQ	C8 H7 F N2 O	c1cc2c(c(c....
47	6QR3	Kd = 0.36 uM	JE8	C19 H22 N6	CN1CCC[C@@....
48	6QOL	-	JB5	C8 H7 N3	c1cc2c(cc1....
49	6QQU	Kd = 5 uM	JF8	C12 H9 N5	c1cc(cc2c1....
50	6QOM	-	JBE	C5 H5 N3 O2	c1cc(c(nc1....
51	6QRG	Kd = 10 uM	JET	C14 H14 N2 O5	COC(=O)COc....
52	6QR4	Kd = 0.59 uM	JD8	C19 H22 N6	CN1CCCC[C@....
53	6QO2	-	JAW	C9 H8 N2 O	c1cc2c(cc[....
54	6QOU	Kd = 0.26 mM	JB8	C8 H8 B N O2	B(c1ccc2cc....

70% Homology Family (58)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	6QQR	-	JDN	C8 H8 B N O2	B(c1ccc2c(....
2	6QOA	-	JBN	C4 H4 N2 O2	c1cnoc1C(=....
3	6QOF	-	ADE	C5 H5 N5	c1[nH]c2c(....
4	6QQY	Kd = 0.5 uM	JD2	C18 H14 N6	c1ccnc(c1)....
5	6QRF	Kd = 33 uM	JF5	C11 H10 N2 O2	c1ccc(cc1)....
6	6QOJ	-	JBH	C8 H8 N2 O	c1ccc2c(c1....
7	6QR5	Kd = 0.49 uM	JFH	C23 H25 N5	c1cc(ccc1C....
8	6QOR	-	JBK	C6 H6 N2 O3	c1cc(c(c(c....
9	6QON	-	J9W	C8 H5 N O3	c1ccc2c(c1....
10	6QOO	-	JAB	C4 H4 N2 O S	c1cnoc1C(=....
11	6QOK	-	J9T	C7 H8 N2 O2	COC(=O)c1c....
12	6QR6	Kd = 0.027 uM	JCK	C24 H24 N6	c1cc(ccc1C....
13	6QQS	Kd = 110 uM	JCZ	C11 H10 N4	c1cc(cc2c1....
14	6QQZ	Kd = 0.18 uM	JEB	C18 H14 N6	c1cc(cnc1)....
15	6QO4	-	97T	C9 H7 N O2	c1ccc(c(c1....
16	6QQW	Kd = 19 uM	JDQ	C18 H16 N4	c1ccc(cc1)....
17	6QQT	Kd = 59 uM	JCH	C19 H18 N4 O	COc1ccc(cc....
18	6QQQ	Kd = 6.7 uM	JDE	C17 H15 N3 O3	COc1cc(cc(....
19	6QOC	-	J9Q	C9 H8 N2 O	c1ccc(c(c1....
20	6NW6	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....
21	6QO3	-	J9N	C7 H7 N3 S	c1cc(sc1)C....
22	6QR7	Kd = 70 nM	JEK	C25 H26 N6	c1cc(ccc1C....
23	6QOT	Kd = 0.17 mM	6SD	C10 H11 N3 O	COc1ccc(cc....
24	6QR0	Kd = 0.12 uM	JFB	C18 H14 N6	c1cc(cc2c1....
25	6QR9	Kd = 190 nM	JEE	C24 H24 N6 O	c1cc(ccc1C....
26	6QOQ	-	JAE	C7 H6 N2 S	c1cc2c(cc1....
27	6QOD	-	FBB	C7 H5 F N2 S	c1cc2c(cc1....
28	6QOV	-	JAH	C12 H12 N2	c1ccc(cc1)....
29	6QR1	Kd = 8.5 uM	JFT	C18 H13 Cl N6	c1cc(cnc1)....
30	6QOI	-	ABV	C7 H6 N2 S	c1ccc2c(c1....
31	6QRC	Kd = 13 uM	JFE	C19 H18 N4 O	COc1cccc(c....
32	6QOW	-	JBZ	C9 H7 N O3 S	COc1ccc2c(....
33	6QRE	Kd = 14 uM	JCQ	C12 H12 N2 O3	COc1cccc(c....
34	6QOX	-	JA5	C9 H9 N O3 S	COC(=O)c1c....
35	6QOG	-	JA8	C7 H5 Br N2 S	c1cc2c(cc1....
36	6QR2	Kd = 3.2 uM	JQB	C18 H14 N6 O	c1cc(c(nc1....
37	6QQV	Kd = 12 uM	JEW	C19 H15 N5	c1ccc(c(c1....
38	6NW7	-	SAH	C14 H20 N6 O5 S	c1nc(c2c(n....
39	6QRA	Kd = 710 nM	JDK	C24 H27 N5	c1cc(ccc1C....
40	6QOS	-	GOJ	C6 H8 N2 O2	CCOC(=O)c1....
41	6QRB	Kd = 27 nM	JEQ	C25 H26 N6	c1ccc(cc1)....
42	6QR8	Kd = 0.073 uM	JDH	C25 H27 N7	CN1CCN(CC1....
43	6QO6	-	5OB	C8 H8 N2 O	COc1ccc2c(....
44	6QRD	Kd = 100 nM	JEH	C27 H31 N7	CC(C)N1CCN....
45	6QOH	-	6GU	C5 H4 Cl N5	c1[nH]c2c(....
46	6QOP	-	JBQ	C8 H7 F N2 O	c1cc2c(c(c....
47	6QR3	Kd = 0.36 uM	JE8	C19 H22 N6	CN1CCC[C@@....
48	6QOL	-	JB5	C8 H7 N3	c1cc2c(cc1....
49	6QQU	Kd = 5 uM	JF8	C12 H9 N5	c1cc(cc2c1....
50	6QOM	-	JBE	C5 H5 N3 O2	c1cc(c(nc1....
51	6QRG	Kd = 10 uM	JET	C14 H14 N2 O5	COC(=O)COc....
52	6QR4	Kd = 0.59 uM	JD8	C19 H22 N6	CN1CCCC[C@....
53	6QO2	-	JAW	C9 H8 N2 O	c1cc2c(cc[....
54	6QOU	Kd = 0.26 mM	JB8	C8 H8 B N O2	B(c1ccc2cc....
55	5ZHJ	Kd = 10.1 uM	SAH	C14 H20 N6 O5 S	c1nc(c2c(n....
56	5ZHL	Kd = 0.19 uM	9D0	C23 H30 N4 O2 S	CCCCCCCCNC....
57	5ZHK	-	9D6	C23 H28 N4 O2 S	CCN(Cc1ccc....
58	6JOF	Kd = 10.4 uM	BWR	C20 H23 N5 O2 S	c1cc(ccc1C....

50% Homology Family (69)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 2 families.
1	6QQR	-	JDN	C8 H8 B N O2	B(c1ccc2c(....
2	6QOA	-	JBN	C4 H4 N2 O2	c1cnoc1C(=....
3	6QOF	-	ADE	C5 H5 N5	c1[nH]c2c(....
4	6QQY	Kd = 0.5 uM	JD2	C18 H14 N6	c1ccnc(c1)....
5	6QRF	Kd = 33 uM	JF5	C11 H10 N2 O2	c1ccc(cc1)....
6	6QOJ	-	JBH	C8 H8 N2 O	c1ccc2c(c1....
7	6QR5	Kd = 0.49 uM	JFH	C23 H25 N5	c1cc(ccc1C....
8	6QOR	-	JBK	C6 H6 N2 O3	c1cc(c(c(c....
9	6QON	-	J9W	C8 H5 N O3	c1ccc2c(c1....
10	6QOO	-	JAB	C4 H4 N2 O S	c1cnoc1C(=....
11	6QOK	-	J9T	C7 H8 N2 O2	COC(=O)c1c....
12	6QR6	Kd = 0.027 uM	JCK	C24 H24 N6	c1cc(ccc1C....
13	6QQS	Kd = 110 uM	JCZ	C11 H10 N4	c1cc(cc2c1....
14	6QQZ	Kd = 0.18 uM	JEB	C18 H14 N6	c1cc(cnc1)....
15	6QO4	-	97T	C9 H7 N O2	c1ccc(c(c1....
16	6QQW	Kd = 19 uM	JDQ	C18 H16 N4	c1ccc(cc1)....
17	6QQT	Kd = 59 uM	JCH	C19 H18 N4 O	COc1ccc(cc....
18	6QQQ	Kd = 6.7 uM	JDE	C17 H15 N3 O3	COc1cc(cc(....
19	6QOC	-	J9Q	C9 H8 N2 O	c1ccc(c(c1....
20	6NW6	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....
21	6QO3	-	J9N	C7 H7 N3 S	c1cc(sc1)C....
22	6QR7	Kd = 70 nM	JEK	C25 H26 N6	c1cc(ccc1C....
23	6QOT	Kd = 0.17 mM	6SD	C10 H11 N3 O	COc1ccc(cc....
24	6QR0	Kd = 0.12 uM	JFB	C18 H14 N6	c1cc(cc2c1....
25	6QR9	Kd = 190 nM	JEE	C24 H24 N6 O	c1cc(ccc1C....
26	6QOQ	-	JAE	C7 H6 N2 S	c1cc2c(cc1....
27	6QOD	-	FBB	C7 H5 F N2 S	c1cc2c(cc1....
28	6QOV	-	JAH	C12 H12 N2	c1ccc(cc1)....
29	6QR1	Kd = 8.5 uM	JFT	C18 H13 Cl N6	c1cc(cnc1)....
30	6QOI	-	ABV	C7 H6 N2 S	c1ccc2c(c1....
31	6QRC	Kd = 13 uM	JFE	C19 H18 N4 O	COc1cccc(c....
32	6QOW	-	JBZ	C9 H7 N O3 S	COc1ccc2c(....
33	6QRE	Kd = 14 uM	JCQ	C12 H12 N2 O3	COc1cccc(c....
34	6QOX	-	JA5	C9 H9 N O3 S	COC(=O)c1c....
35	6QOG	-	JA8	C7 H5 Br N2 S	c1cc2c(cc1....
36	6QR2	Kd = 3.2 uM	JQB	C18 H14 N6 O	c1cc(c(nc1....
37	6QQV	Kd = 12 uM	JEW	C19 H15 N5	c1ccc(c(c1....
38	6NW7	-	SAH	C14 H20 N6 O5 S	c1nc(c2c(n....
39	6QRA	Kd = 710 nM	JDK	C24 H27 N5	c1cc(ccc1C....
40	6QOS	-	GOJ	C6 H8 N2 O2	CCOC(=O)c1....
41	6QRB	Kd = 27 nM	JEQ	C25 H26 N6	c1ccc(cc1)....
42	6QR8	Kd = 0.073 uM	JDH	C25 H27 N7	CN1CCN(CC1....
43	6QO6	-	5OB	C8 H8 N2 O	COc1ccc2c(....
44	6QRD	Kd = 100 nM	JEH	C27 H31 N7	CC(C)N1CCN....
45	6QOH	-	6GU	C5 H4 Cl N5	c1[nH]c2c(....
46	6QOP	-	JBQ	C8 H7 F N2 O	c1cc2c(c(c....
47	6QR3	Kd = 0.36 uM	JE8	C19 H22 N6	CN1CCC[C@@....
48	6QOL	-	JB5	C8 H7 N3	c1cc2c(cc1....
49	6QQU	Kd = 5 uM	JF8	C12 H9 N5	c1cc(cc2c1....
50	6QOM	-	JBE	C5 H5 N3 O2	c1cc(c(nc1....
51	6QRG	Kd = 10 uM	JET	C14 H14 N2 O5	COC(=O)COc....
52	6QR4	Kd = 0.59 uM	JD8	C19 H22 N6	CN1CCCC[C@....
53	6QO2	-	JAW	C9 H8 N2 O	c1cc2c(cc[....
54	6QOU	Kd = 0.26 mM	JB8	C8 H8 B N O2	B(c1ccc2cc....
55	6JOE	Kd = 0.091 uM	BWR	C20 H23 N5 O2 S	c1cc(ccc1C....
56	4MCD	ic50 = 4.7 uM	22L	C12 H8 N2 O S	c1ccc(cc1)....
57	3AXZ	Kd = 372 uM	ADN	C10 H13 N5 O4	c1nc(c2c(n....
58	4MCC	ic50 = 0.56 uM	21X	C15 H14 N4 O2 S	c1cc(ccc1C....
59	1UAK	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....
60	4YVH	-	SFG	C15 H23 N7 O5	c1nc(c2c(n....
61	1UAL	-	SAH	C14 H20 N6 O5 S	c1nc(c2c(n....
62	1UAM	-	SAH	C14 H20 N6 O5 S	c1nc(c2c(n....
63	4YVG	-	SAM	C15 H22 N6 O5 S	C[S@@+](CC....
64	4MCB	ic50 = 1.5 uM	21W	C19 H18 N6 O2 S	c1cc(ccc1C....
65	5ZHJ	Kd = 10.1 uM	SAH	C14 H20 N6 O5 S	c1nc(c2c(n....
66	5ZHL	Kd = 0.19 uM	9D0	C23 H30 N4 O2 S	CCCCCCCCNC....
67	5ZHK	-	9D6	C23 H28 N4 O2 S	CCN(Cc1ccc....
68	6JOF	Kd = 10.4 uM	BWR	C20 H23 N5 O2 S	c1cc(ccc1C....
69	1P9P	Kd = 68 nM	SAH	C14 H20 N6 O5 S	c1nc(c2c(n....

Polypharmacology

Similar Ligands (2D)

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

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

Similar Ligands (3D)

Ligand no: 1; Ligand: JBH; Similar ligands found: 1032

No:	Ligand	Similarity coefficient
1	1LQ	1.0000
2	1NP	1.0000
3	1SQ	1.0000
4	4YS	1.0000
5	JPZ	1.0000
6	ES1	1.0000
7	O72	1.0000
8	1LM	1.0000
9	N5J	1.0000
10	24W	1.0000
11	HQY	0.9997
12	5IQ	0.9996
13	5SG	0.9995
14	5Q0	0.9993
15	HH8	0.9941
16	SWD	0.9886
17	1XN	0.9837
18	4XH	0.9830
19	SVN	0.9829
20	ISN	0.9818
21	HPA	0.9815
22	Q88	0.9811
23	ADE	0.9803
24	KKN	0.9798
25	GLC	0.9797
26	12Q	0.9788
27	NPY	0.9787
28	QUZ	0.9779
29	R8V	0.9779
30	5WV	0.9774
31	6MP	0.9773
32	BTE	0.9772
33	ES7	0.9758
34	3WA	0.9758
35	7WA	0.9753
36	9DA	0.9752
37	9HX	0.9752
38	9EW	0.9750
39	6M9	0.9750
40	7W4	0.9748
41	10L	0.9746
42	BP1	0.9746
43	BGC	0.9746
44	HLZ	0.9744
45	KJH	0.9743
46	JBQ	0.9743
47	0P6	0.9740
48	AZ8	0.9737
49	F05	0.9737
50	A7W	0.9736
51	SAL	0.9735
52	7HP	0.9727
53	HQT	0.9725
54	XYP	0.9723
55	KUF	0.9721
56	M1Q	0.9720
57	6M4	0.9718
58	ES0	0.9716
59	0RW	0.9713
60	CWM	0.9712
61	M0W	0.9711
62	8CM	0.9706
63	MT0	0.9705
64	Q24	0.9705
65	9DG	0.9704
66	M6N	0.9702
67	PXL	0.9699
68	HLR	0.9698
69	PE0	0.9696
70	GUN	0.9694
71	CWS	0.9693
72	1PT	0.9693
73	7W1	0.9692
74	I3A	0.9691
75	32X	0.9688
76	7HQ	0.9687
77	PM6	0.9687
78	JBE	0.9686
79	LXC	0.9686
80	5QX	0.9685
81	25W	0.9685
82	TTL	0.9682
83	ADZ	0.9680
84	5RG	0.9679
85	M1A	0.9678
86	J9W	0.9669
87	67N	0.9667
88	M5K	0.9665
89	UNC	0.9665
90	MEW	0.9661
91	7B4	0.9661
92	M1H	0.9659
93	4HC	0.9657
94	ES4	0.9655
95	AQO	0.9652
96	7VS	0.9652
97	G6D	0.9652
98	IGA	0.9648
99	495	0.9647
100	SKA	0.9647
101	DIN	0.9646
102	23A	0.9636
103	AZA	0.9635
104	BHO	0.9632
105	2CK	0.9628
106	MRW	0.9627
107	0W8	0.9619
108	HZQ	0.9617
109	3HA	0.9605
110	4CS	0.9604
111	DEN	0.9600
112	AHR	0.9597
113	URC	0.9594
114	AZ9	0.9591
115	M0Q	0.9590
116	9MG	0.9590
117	5WX	0.9589
118	DX4	0.9587
119	3ID	0.9586
120	DHQ	0.9585
121	290	0.9583
122	6AP	0.9580
123	BE2	0.9578
124	ES6	0.9578
125	GTQ	0.9576
126	G3F	0.9571
127	XXR	0.9569
128	KT7	0.9565
129	SWA	0.9561
130	AJ2	0.9560
131	BOA	0.9559
132	3Z8	0.9557
133	3U4	0.9551
134	XAN	0.9550
135	AZG	0.9549
136	GIO	0.9549
137	JKE	0.9545
138	4SV	0.9544
139	1P7	0.9543
140	DBH	0.9540
141	4NC	0.9540
142	JUG	0.9537
143	8S0	0.9535
144	NMJ	0.9531
145	1XM	0.9530
146	3PF	0.9528
147	3IT	0.9518
148	3HB	0.9515
149	DHB	0.9515
150	GAB	0.9514
151	ORO	0.9512
152	F5B	0.9512
153	GCS	0.9507
154	1WD	0.9503
155	FE DB1	0.9500
156	141	0.9500
157	5M0	0.9496
158	JBK	0.9494
159	APZ	0.9494
160	OXC	0.9491
161	XQ0	0.9488
162	G3E	0.9488
163	LSA	0.9487
164	YH7	0.9487
165	IJZ	0.9485
166	6CS	0.9485
167	4JP	0.9483
168	QBK	0.9483
169	VNL	0.9483
170	FOT	0.9481
171	BTY	0.9476
172	86J	0.9475
173	7WV	0.9474
174	COU	0.9471
175	SOE	0.9471
176	2AQ	0.9470
177	VK3	0.9470
178	M1E	0.9466
179	B60	0.9465
180	JB5	0.9465
181	DRL	0.9464
182	8TX	0.9463
183	ISE	0.9461
184	5HN	0.9460
185	G1O	0.9458
186	BDP	0.9458
187	GVH	0.9457
188	ADK	0.9457
189	5NU	0.9457
190	EQT	0.9455
191	EA1	0.9452
192	HQD	0.9452
193	MUA	0.9451
194	CTL	0.9451
195	GRE	0.9449
196	54G	0.9448
197	3AB	0.9445
198	XYS	0.9443
199	1WG	0.9442
200	5QY	0.9441
201	ES5	0.9439
202	H42	0.9439
203	GYE	0.9437
204	MAQ	0.9436
205	39A	0.9435
206	RXA	0.9435
207	5CU	0.9435
208	5B1	0.9433
209	MO8	0.9431
210	B55	0.9431
211	FA0	0.9431
212	BZF	0.9431
213	75K	0.9429
214	53C	0.9429
215	DBJ	0.9426
216	P9P	0.9426
217	B62	0.9425
218	FDB	0.9422
219	XAZ	0.9421
220	IND	0.9421
221	42A	0.9418
222	BZI	0.9417
223	GAL	0.9416
224	0FO	0.9415
225	03V	0.9412
226	4FS	0.9410
227	34D	0.9409
228	SYV	0.9409
229	7NI	0.9404
230	D1X	0.9404
231	6F0	0.9401
232	GDE	0.9401
233	0N7	0.9400
234	2HQ	0.9400
235	150	0.9400
236	INO	0.9398
237	NOJ	0.9398
238	AJV	0.9397
239	4AA	0.9396
240	0R1	0.9395
241	BZX	0.9394
242	42C	0.9394
243	8IG	0.9394
244	9TZ	0.9394
245	173	0.9392
246	RAM	0.9392
247	SE2	0.9389
248	XHP	0.9387
249	L3Q	0.9387
250	DOB	0.9386
251	LZM	0.9386
252	5JQ	0.9385
253	0CT	0.9378
254	DHK	0.9378
255	MYJ	0.9376
256	D48	0.9376
257	NNO	0.9376
258	5RN	0.9376
259	XX2	0.9375
260	HHA	0.9375
261	NTM	0.9374
262	4MU	0.9373
263	RSF	0.9373
264	EXO	0.9373
265	OCH	0.9371
266	AW5	0.9369
267	5H1	0.9369
268	4A3	0.9369
269	5MK	0.9368
270	OXQ	0.9368
271	MPI	0.9367
272	DQU	0.9366
273	7ZE	0.9366
274	XM0	0.9366
275	URF	0.9365
276	QX4	0.9365
277	LZ1	0.9364
278	44W	0.9361
279	BEA	0.9359
280	IDM	0.9359
281	DOR	0.9359
282	F60	0.9358
283	PYQ	0.9358
284	12B	0.9358
285	6AI	0.9357
286	PZA	0.9357
287	NQ	0.9353
288	2ZQ	0.9352
289	4XR	0.9352
290	2K4	0.9351
291	FHB	0.9350
292	4M0	0.9350
293	GAG	0.9349
294	2CQ	0.9349
295	J5I	0.9348
296	MCT	0.9347
297	14O	0.9346
298	OTW	0.9346
299	BHA	0.9344
300	FUL	0.9344
301	SX1	0.9343
302	ARB	0.9342
303	ASO	0.9341
304	GBD	0.9340
305	CHB	0.9339
306	5WY	0.9336
307	ABV	0.9335
308	6M1	0.9335
309	BEN	0.9335
310	93K	0.9334
311	PZI	0.9330
312	6GU	0.9329
313	PHT	0.9328
314	MWM	0.9327
315	4ZE	0.9327
316	LT2	0.9326
317	0TR	0.9324
318	3HM	0.9323
319	AX7	0.9319
320	VGL	0.9318
321	QSB	0.9318
322	BEZ	0.9317
323	JAE	0.9314
324	2ZV	0.9310
325	0MK	0.9310
326	MWP	0.9309
327	F0J	0.9306
328	270	0.9299
329	GCU	0.9299
330	TEP	0.9298
331	XQG	0.9298
332	9KT	0.9295
333	SXS	0.9295
334	E7Z	0.9294
335	4HO	0.9294
336	P3K	0.9292
337	5MB	0.9291
338	A2F	0.9290
339	WBU	0.9290
340	TDR	0.9290
341	8WT	0.9289
342	7CZ	0.9285
343	XBZ	0.9285
344	5MI	0.9284
345	MVN	0.9284
346	44V	0.9283
347	2YU	0.9280
348	TOF	0.9278
349	5JL	0.9277
350	3M0	0.9277
351	15L	0.9276
352	KJY	0.9275
353	TH7	0.9275
354	KYD	0.9274
355	V55	0.9273
356	4M4	0.9273
357	B53	0.9272
358	VNJ	0.9268
359	NDH	0.9267
360	DIE	0.9267
361	2AC	0.9266
362	3RK	0.9266
363	6ME	0.9265
364	NIO	0.9265
365	S76	0.9265
366	NBZ	0.9263
367	6PC	0.9260
368	B57	0.9259
369	DMD	0.9257
370	SKM	0.9257
371	HFB	0.9256
372	NCA	0.9256
373	2HO	0.9255
374	YCP	0.9255
375	YSO	0.9254
376	HH5	0.9253
377	D07	0.9252
378	Q6T	0.9249
379	LGC	0.9249
380	INS	0.9249
381	2FG	0.9248
382	37T	0.9244
383	NPO	0.9243
384	2AL	0.9242
385	TM7	0.9239
386	149	0.9239
387	PBC	0.9236
388	JZ3	0.9236
389	XYD	0.9235
390	ICP	0.9234
391	CTS	0.9234
392	TH0	0.9231
393	1P3	0.9231
394	NDM	0.9230
395	HT4	0.9230
396	3Z7	0.9229
397	GTR	0.9229
398	FYU	0.9228
399	2EC	0.9227
400	MZG	0.9227
401	PYD	0.9225
402	P92	0.9222
403	5OB	0.9220
404	RIP	0.9220
405	3F0	0.9219
406	BAM	0.9219
407	2H5	0.9219
408	HIS	0.9219
409	NID	0.9215
410	ICO	0.9212
411	J9T	0.9209
412	1DW	0.9209
413	ES9	0.9208
414	GLA	0.9206
415	11S	0.9204
416	INE	0.9203
417	KLW	0.9202
418	4JJ	0.9202
419	5UC	0.9202
420	IHB	0.9201
421	45C	0.9200
422	HMH	0.9199
423	2MI	0.9198
424	PYG	0.9198
425	8GC	0.9197
426	M58	0.9197
427	G5V	0.9196
428	4CL	0.9194
429	PHB	0.9194
430	QSH	0.9193
431	FUC	0.9192
432	3MC	0.9191
433	7MH	0.9189
434	KOJ	0.9188
435	4Z4	0.9187
436	FGZ	0.9185
437	82I	0.9183
438	7ME	0.9182
439	2CM	0.9181
440	EKZ	0.9181
441	FK1	0.9179
442	DUB	0.9178
443	0JD	0.9178
444	HMU	0.9178
445	3OC	0.9177
446	UNU	0.9177
447	24B	0.9176
448	5JC	0.9172
449	3MA	0.9171
450	0CU	0.9169
451	JZ2	0.9169
452	RM4	0.9168
453	F4Z	0.9167
454	N8Y	0.9165
455	NOY	0.9163
456	3ZQ	0.9163
457	F31	0.9160
458	BR9	0.9159
459	97T	0.9159
460	DFB	0.9157
461	MWJ	0.9155
462	4ZC	0.9155
463	AKH	0.9153
464	J9Q	0.9153
465	H4N	0.9152
466	GJS	0.9152
467	JZ9	0.9150
468	2MY	0.9150
469	MQN	0.9149
470	6VD	0.9148
471	DBX	0.9146
472	4ME	0.9146
473	2C9	0.9145
474	KBG	0.9142
475	3FA	0.9141
476	4JT	0.9140
477	JXN	0.9140
478	IFL	0.9140
479	DNF	0.9139
480	3MB	0.9139
481	NTZ	0.9136
482	7VJ	0.9135
483	7B3	0.9133
484	SHG	0.9133
485	27Y	0.9132
486	FBB	0.9132
487	2A7	0.9132
488	KJU	0.9132
489	WOO	0.9132
490	J1Z	0.9131
491	OVV	0.9130
492	GMN	0.9130
493	BCF	0.9130
494	ZZT	0.9130
495	60P	0.9129
496	PAB	0.9129
497	OAA	0.9127
498	ZVO	0.9125
499	EVA	0.9125
500	DPZ	0.9124
501	CFP	0.9124
502	MBD	0.9124
503	FBV	0.9123
504	329	0.9122
505	A13	0.9122
506	TC7	0.9121
507	3BZ	0.9120
508	MFB	0.9119
509	51R	0.9118
510	ALL	0.9117
511	3DM	0.9116
512	LKA	0.9115
513	RM1	0.9113
514	0FN	0.9112
515	LI6	0.9110
516	PA1	0.9109
517	3MG	0.9109
518	G2F	0.9109
519	6MH	0.9108
520	3SK	0.9104
521	MAN	0.9103
522	EYK	0.9102
523	T6C	0.9102
524	CLZ	0.9100
525	BBF	0.9100
526	DQN	0.9100
527	C2U	0.9100
528	UAN	0.9100
529	QSC	0.9099
530	2DR	0.9096
531	64K	0.9095
532	35C	0.9093
533	4JQ	0.9093
534	CFF	0.9091
535	3CE	0.9088
536	YQA	0.9088
537	92K	0.9087
538	FCB	0.9087
539	K2T	0.9085
540	PCI	0.9084
541	BE7	0.9083
542	IFP	0.9083
543	SS1	0.9082
544	NTN	0.9078
545	GCB	0.9078
546	KIB	0.9077
547	TIU	0.9077
548	M2K	0.9075
549	LDP	0.9075
550	NSP	0.9075
551	2FQ	0.9074
552	VGD	0.9073
553	QAS	0.9073
554	SJ5	0.9072
555	9FL	0.9072
556	GIV	0.9072
557	I1N	0.9072
558	5RO	0.9071
559	12M	0.9069
560	5MH	0.9068
561	QAT	0.9068
562	TLD	0.9064
563	SOR	0.9061
564	NK	0.9060
565	R9Y	0.9058
566	2D0	0.9057
567	TM4	0.9057
568	5CL	0.9057
569	8WO	0.9057
570	DFU	0.9057
571	ET2	0.9056
572	GM7	0.9056
573	RNS	0.9056
574	FFP	0.9055
575	286	0.9055
576	G4D	0.9055
577	Y8I	0.9051
578	1GN	0.9051
579	680	0.9049
580	X05	0.9049
581	QWN	0.9048
582	BZ3	0.9048
583	Q7A	0.9048
584	FB1	0.9047
585	8NY	0.9044
586	5XC	0.9044
587	BR8	0.9044
588	FCA	0.9043
589	GZL	0.9043
590	X0V	0.9042
591	QOS	0.9041
592	A1U	0.9041
593	GOG	0.9041
594	JFD	0.9041
595	PHH	0.9040
596	2AK	0.9040
597	JND	0.9040
598	3NT	0.9038
599	BMA	0.9038
600	FLM	0.9035
601	AC0	0.9035
602	DIU	0.9035
603	QPR	0.9033
604	1P8	0.9031
605	AZF	0.9031
606	PRF	0.9030
607	RMN	0.9030
608	IFM	0.9029
609	4YO	0.9029
610	MS9	0.9027
611	AJY	0.9027
612	GVG	0.9026
613	ISZ	0.9023
614	40O	0.9023
615	0TU	0.9022
616	7WR	0.9021
617	4P5	0.9021
618	IBF	0.9018
619	SHA	0.9016
620	GAF	0.9015
621	R8A	0.9015
622	X6X	0.9013
623	OMD	0.9012
624	36R	0.9011
625	ES2	0.9011
626	F12	0.9011
627	PFB	0.9010
628	URQ	0.9010
629	HJP	0.9009
630	CFI	0.9009
631	FPY	0.9009
632	FBT	0.9008
633	R8S	0.9008
634	0R0	0.9007
635	EUG	0.9006
636	IUR	0.9005
637	X09	0.9005
638	GZ8	0.9002
639	RIB	0.9002
640	LCN	0.9000
641	CLW	0.9000
642	PQ0	0.9000
643	4TU	0.8999
644	1MC	0.8999
645	F3B	0.8998
646	5GU	0.8998
647	261	0.8998
648	JA8	0.8997
649	3DO	0.8997
650	Q71	0.8997
651	OXE	0.8994
652	5VM	0.8993
653	ASP	0.8993
654	GXY	0.8992
655	282	0.8992
656	ADA	0.8992
657	JXW	0.8990
658	QXW	0.8989
659	3XX	0.8989
660	NIZ	0.8989
661	8ZE	0.8988
662	CAQ	0.8986
663	HY3	0.8985
664	KBB	0.8984
665	MBG	0.8984
666	SRO	0.8981
667	CN0	0.8980
668	RHU	0.8980
669	BK9	0.8978
670	ASC	0.8978
671	20J	0.8976
672	PDC	0.8974
673	BCP	0.8972
674	OXZ	0.8972
675	FPK	0.8970
676	94N	0.8969
677	DGJ	0.8969
678	NK2	0.8969
679	B5D	0.8967
680	SYN	0.8966
681	8W9	0.8966
682	8OZ	0.8966
683	RPQ	0.8963
684	1KP	0.8961
685	FBG	0.8961
686	4HM	0.8961
687	H33	0.8958
688	3FH	0.8958
689	13X	0.8958
690	2PC	0.8955
691	YTB	0.8954
692	PXM	0.8952
693	4SX	0.8952
694	Z82	0.8951
695	MR1	0.8951
696	GOO	0.8949
697	GXL	0.8948
698	6UA	0.8946
699	VOH	0.8946
700	5NE	0.8945
701	9CA	0.8944
702	HNQ	0.8944
703	TBP	0.8943
704	IPB	0.8942
705	OA3	0.8942
706	ARA	0.8941
707	AX2	0.8940
708	ZZ3	0.8940
709	IT2	0.8940
710	EJZ	0.8940
711	UFO	0.8939
712	3AY	0.8937
713	2FY	0.8936
714	HBX	0.8936
715	PRO	0.8936
716	4FH	0.8934
717	1U6	0.8933
718	IV2	0.8932
719	I6G	0.8931
720	PBZ	0.8931
721	HBA	0.8931
722	FUF	0.8929
723	HXX	0.8928
724	PBA	0.8926
725	15E	0.8925
726	M5N	0.8925
727	OVM	0.8924
728	F81	0.8923
729	0HO	0.8923
730	IF7	0.8923
731	A29	0.8922
732	P72	0.8921
733	2A9	0.8920
734	2AF	0.8917
735	QIC	0.8917
736	UFV	0.8916
737	PX7	0.8915
738	XXP	0.8915
739	3NY	0.8914
740	TWO	0.8913
741	UEG	0.8911
742	1IT	0.8911
743	HBD	0.8910
744	IPZ	0.8910
745	L89	0.8908
746	826	0.8904
747	BSP	0.8903
748	WDL	0.8902
749	URA	0.8902
750	226	0.8901
751	NEQ	0.8901
752	39O	0.8900
753	KIA	0.8900
754	RCO	0.8900
755	3R6	0.8898
756	4XV	0.8898
757	2BG	0.8898
758	8H8	0.8897
759	PEY	0.8896
760	SVD	0.8895
761	IDH	0.8895
762	GOX	0.8895
763	GV9	0.8894
764	MZB	0.8894
765	1Y6	0.8893
766	BEW	0.8893
767	265	0.8893
768	QX2	0.8892
769	6NT	0.8891
770	SRT	0.8890
771	0HN	0.8890
772	SYA	0.8890
773	8XQ	0.8890
774	XIY	0.8889
775	JTH	0.8888
776	SMV	0.8887
777	0LH	0.8886
778	92Z	0.8886
779	SW7	0.8884
780	TSS	0.8884
781	VXX	0.8884
782	GLY PRO	0.8884
783	PYF	0.8883
784	MSN	0.8882
785	HIO	0.8881
786	PYC	0.8881
787	TP5	0.8879
788	FP2	0.8878
789	174	0.8878
790	PH2	0.8878
791	FOA	0.8878
792	TTY	0.8877
793	FLV	0.8877
794	2CH	0.8877
795	1AN	0.8876
796	FDK	0.8876
797	ENL	0.8874
798	GLF	0.8873
799	EV0	0.8873
800	K5W	0.8873
801	RB5	0.8873
802	4MA	0.8871
803	LMR	0.8871
804	4JO	0.8870
805	HHR	0.8868
806	8LG	0.8868
807	DYA	0.8867
808	6RQ	0.8866
809	WCE	0.8866
810	95Z	0.8866
811	DMJ	0.8865
812	275	0.8864
813	JZ0	0.8864
814	MFU	0.8863
815	MNM	0.8862
816	C21	0.8857
817	2LP	0.8856
818	ZYR	0.8856
819	CYT	0.8856
820	3CH	0.8856
821	CRS	0.8855
822	260	0.8854
823	23J	0.8853
824	AS3	0.8851
825	YIO	0.8851
826	QWW	0.8850
827	2ZM	0.8847
828	43M	0.8846
829	47J	0.8846
830	LG5	0.8846
831	3MH	0.8845
832	F9P	0.8845
833	5ZE	0.8843
834	FBM	0.8842
835	BRT	0.8842
836	HKD	0.8842
837	FA3	0.8842
838	ZWZ	0.8841
839	FDR	0.8840
840	LG3	0.8840
841	TAR	0.8839
842	K34	0.8839
843	PRZ	0.8839
844	TLA	0.8838
845	MAK	0.8837
846	E3D	0.8837
847	HA7	0.8835
848	76X	0.8834
849	26D	0.8834
850	4XS	0.8832
851	K17	0.8832
852	C2Y	0.8832
853	FCR	0.8831
854	ERH	0.8831
855	93Q	0.8830
856	FAN	0.8828
857	ZB1	0.8827
858	TZC	0.8826
859	4VP	0.8825
860	9RW	0.8824
861	N8P	0.8824
862	TT4	0.8822
863	2ZX	0.8821
864	MHK	0.8820
865	94B	0.8819
866	NCT	0.8818
867	9R5	0.8817
868	TBS	0.8814
869	F9Y	0.8813
870	JG8	0.8811
871	JLZ	0.8810
872	PHE	0.8808
873	34A	0.8806
874	06B	0.8806
875	ZZ8	0.8805
876	2HU	0.8805
877	2PG	0.8804
878	MT5	0.8803
879	BVF	0.8803
880	AUD	0.8803
881	2MP	0.8802
882	1M2	0.8802
883	JBN	0.8801
884	5NI	0.8800
885	DX3	0.8800
886	NVU	0.8799
887	JZ1	0.8799
888	GIF	0.8791
889	GIM	0.8791
890	FH2	0.8789
891	ABI	0.8789
892	ROI	0.8789
893	BDF	0.8787
894	HTS	0.8787
895	717	0.8786
896	BCU	0.8785
897	28N	0.8782
898	23W	0.8782
899	FP1	0.8780
900	3SL	0.8777
901	L99	0.8776
902	C2A	0.8775
903	JU2	0.8774
904	TGX	0.8773
905	1XX	0.8772
906	BNS	0.8771
907	BPU	0.8766
908	938	0.8766
909	8GF	0.8765
910	XYL	0.8760
911	8GK	0.8758
912	AGK	0.8758
913	9TW	0.8755
914	Q77	0.8755
915	PLQ	0.8753
916	GLU	0.8752
917	948	0.8750
918	WOT	0.8750
919	N2I	0.8750
920	LNR	0.8746
921	YAN	0.8745
922	0XT	0.8745
923	ONR	0.8743
924	DHS	0.8743
925	KPL	0.8742
926	6BL	0.8742
927	JAB	0.8742
928	SMN	0.8741
929	Z5P	0.8738
930	FB2	0.8736
931	AC6	0.8736
932	H8N	0.8735
933	ZZZ	0.8735
934	CGB	0.8735
935	JKZ	0.8732
936	JZ5	0.8731
937	DNC	0.8730
938	6X8	0.8727
939	IP0	0.8726
940	7MU	0.8725
941	AFR	0.8724
942	B3R	0.8723
943	AEZ	0.8723
944	K6X	0.8721
945	PHU	0.8721
946	DEE	0.8720
947	ZXD	0.8718
948	HQE	0.8714
949	PD2	0.8712
950	M2H	0.8712
951	0W1	0.8711
952	ASN	0.8709
953	G12	0.8708
954	GLT	0.8705
955	FPN	0.8703
956	RSO	0.8700
957	MXN	0.8700
958	CIG	0.8699
959	EDR	0.8697
960	LG4	0.8696
961	PCR	0.8695
962	ZBT	0.8695
963	LDR	0.8694
964	JIF	0.8694
965	OVP	0.8690
966	M3T	0.8684
967	L5V	0.8683
968	X8D	0.8679
969	DA1	0.8679
970	JXZ	0.8679
971	HEW	0.8677
972	TCZ	0.8674
973	HGQ	0.8673
974	FQI	0.8667
975	O2A	0.8667
976	2LY	0.8665
977	PMB	0.8662
978	4H2	0.8661
979	3AL	0.8661
980	PXY	0.8660
981	4RU	0.8659
982	OK7	0.8658
983	PCA	0.8658
984	6HQ	0.8658
985	ABE	0.8657
986	PAF	0.8650
987	14J	0.8649
988	BNT	0.8647
989	4JM	0.8647
990	KDV	0.8644
991	HA5	0.8644
992	6LW	0.8643
993	XBT	0.8643
994	18N	0.8642
995	9AP	0.8640
996	8HC	0.8638
997	9PY	0.8637
998	5NS	0.8637
999	PFL	0.8636
1000	25R	0.8636
1001	H6B	0.8631
1002	9FE	0.8624
1003	1X7	0.8623
1004	TMZ	0.8621
1005	DHR	0.8618
1006	X0W	0.8614
1007	TMT	0.8614
1008	069	0.8614
1009	4CH	0.8605
1010	HDH	0.8602
1011	94W	0.8602
1012	6NI	0.8598
1013	KFH	0.8597
1014	1LN	0.8596
1015	2TQ	0.8590
1016	HLD	0.8587
1017	PBR	0.8584
1018	TSU	0.8580
1019	8NX	0.8579
1020	DQA	0.8576
1021	1F1	0.8574
1022	XCZ	0.8570
1023	4WL	0.8568
1024	CRN	0.8561
1025	3A9	0.8560
1026	UQ	0.8557
1027	JAW	0.8549
1028	RAT	0.8545
1029	M4E	0.8541
1030	CWJ	0.8537
1031	JZ4	0.8509
1032	4TE	0.8507

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

Pocket No.: 1; Query (leader) PDB : 6QRB; Ligand: JEQ; 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: 6qrb.bio1) has 36 residues
No:	Leader PDB	Ligand	Sequence Similarity

Pocket No.: 2; Query (leader) PDB : 6QRB; Ligand: JEQ; 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: 6qrb.bio1) has 34 residues
No:	Leader PDB	Ligand	Sequence Similarity

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