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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4JM9	1.41 Å	EC: 1.11.1.5	CRYSTAL STRUCTURE OF CYTOCHROME C PEROXIDASE W191G-GATELESS WITH 3-AMINO-1-METHYLPYRIDINIUM	SACCHAROMYCES CEREVISIAE	MODEL SYSTEM BULK SOLVENT ORDERED WATERS DOCKING LIGAND FREE ENERGY CALCULATION MOLECULAR DYNAMICS OXIDOREDUCTASE
Ref.:	BLIND PREDICTION OF CHARGED LIGAND BINDING AFFINITI MODEL BINDING SITE. J.MOL.BIOL. V. 425 4569 2013

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
HEM	A:301;	Part of Protein;	none;	submit data	616.487	C34 H32 Fe N4 O4	Cc1c2...
PO4	A:304;	Invalid;	none;	submit data	94.971	O4 P	[O-]P...
IOD	A:303;	Invalid;	none;	submit data	126.904	I	[I-]
LG5	A:302;	Valid;	none;	submit data	110.157	C6 H10 N2	CN1CC...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
5U61	1.22 Å	EC: 1.11.1.5	CCP GATELESS CAVITY	SACCHAROMYCES CEREVISIAE (STRAIN RM11-ORGANISM_COMMON: BAKER-prime S YEAST	MODEL SYSTEM CYTOCHROME C PEROXIDASE GIST DESOLVATION DOLIGAND BINDING OXIDOREDUCTASE
Ref.:	TESTING INHOMOGENEOUS SOLVATION THEORY IN STRUCTURE LIGAND DISCOVERY. PROC. NATL. ACAD. SCI. V. 114 E6839 2017 U.S.A.

Members (79)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 4 families.
1	4JPL	-	4JP	C7 H6 N2	c1cc2c(cc[....
2	2EUS	-	ABN	C7 H9 N	c1ccc(cc1)....
3	2RBV	-	278	C6 H10 N2	Cn1cccc1CN
4	2EUU	-	BVG	C4 H6 N2 O	c1cnc([nH]....
5	1AEH	-	24T	C4 H6 N2 S	Cc1csc(n1)....
6	5U5X	Kd = 1.3 uM	TP5	C5 H6 N2 S	[H]/N=C(c1....
7	4JM6	-	LG3	C4 H6 N4	c1cnc(nc1N....
8	4JQM	-	1LQ	C8 H7 N3	c1ccc2c(c1....
9	5UG2	Kd ~ 712 uM	86J	C8 H8 F N3	Cc1c(n2cc(....
10	2RBZ	-	282	C6 H7 N O	COc1cccnc1
11	2RC1	-	285	C6 H13 N O	CC1[C@H](O....
12	1AEU	-	2MZ	C4 H6 N2	Cc1[nH]ccn....
13	1AED	-	DTI	C5 H8 N S	Cc1csc[n+]....
14	4JMZ	Kd = 288 uM	1M2	C8 H9 N3	CNc1[nH]c2....
15	2AS4	Kd = 7.7 mM	3FA	C6 H5 F O2	c1cc(c(c(c....
16	4JM9	-	LG5	C6 H10 N2	CN1CC=CC(=....
17	1AEK	-	IDM	C8 H9 N	c1ccc2c(c1....
18	5U5Y	Kd = 522 uM	7W4	C8 H9 N3	Cc1c(n2ccc....
19	1AEV	-	AMT	C3 H4 N2 S	c1csc(n1)N
20	4A78	-	JZ3	C7 H8 O2	COc1ccccc1....
21	1CMP	Kd = 0.027 mM	DMI	C5 H9 N2	Cc1[nH+]cc....
22	2AS6	-	1CB	C5 H11 N	C1CCC(C1)N
23	5U61	Kd = 0.04 uM	7WG	C6 H9 N3	c1c([nH]c(....
24	2EUP	Kd = 0.04 mM	LG4	C6 H8 N2	Cc1ccc(nc1....
25	2RBY	-	280	C5 H6 N2 O	Cn1cncc1C=....
26	4XV5	-	BZI	C7 H6 N2	c1ccc2c(c1....
27	1CCI	-	DMI	C5 H9 N2	Cc1[nH+]cc....
28	1RYC	-	BZI	C7 H6 N2	c1ccc2c(c1....
29	5U5Z	Kd = 3472 uM	7VP	C10 H10 N2	Cc1c[nH]c(....
30	2AS3	Kd = 4.1 mM	IPH	C6 H6 O	c1ccc(cc1)....
31	4XV8	-	BEN	C7 H8 N2	[H]/N=C(c1....
32	1KXM	Kd = 0.14 mM	BZI	C7 H6 N2	c1ccc2c(c1....
33	2EUN	Kd = 0.05 mM	LG3	C4 H6 N4	c1cnc(nc1N....
34	4XV7	-	1LQ	C8 H7 N3	c1ccc2c(c1....
35	4JQK	-	1LN	C7 H11 N2 O	C1=CC=[N](....
36	2AS2	-	2IM	C5 H10 N2	C1CCNC(=N)....
37	2EUQ	Kd = 0.05 mM	BVC	C5 H7 N S	c1cscc1CN
38	4A6Z	-	JZ3	C7 H8 O2	COc1ccccc1....
39	1AEB	-	3MT	C4 H6 N S	C[n+]1ccsc....
40	4JQJ	-	1LM	C9 H8 N2	c1ccc2c(c1....
41	4JMA	-	3FA	C6 H5 F O2	c1cc(c(c(c....
42	1AET	-	1MZ	C4 H7 N2	Cn1cc[nH+]....
43	2X08	-	ASC	C6 H8 O6	C([C@@H]([....
44	2AS1	Kd = 0.02 mM	TP5	C5 H6 N2 S	[H]/N=C(c1....
45	1AEJ	-	NVI	C5 H7 N2	C=C[n+]1cc....
46	2Y5A	Kd = 0.055 mM	3AP	C5 H7 N2	c1cc(c[nH+....
47	1AEO	-	2AP	C5 H7 N2	c1cc[nH+]c....
48	2EUT	-	BVF	C6 H8 N2	Cc1ccnc(c1....
49	2RBU	-	273	C6 H12 N2	[H]/N=C(C1....
50	4A71	-	IPH	C6 H6 O	c1ccc(cc1)....
51	3EXB	-	EXB GLY ALA ALA NH2	n/a	n/a
52	4JQN	-	HBA	C7 H6 O2	c1cc(ccc1C....
53	5U5V	Kd = 29.6 uM	7WA	C7 H7 N3	c1cc(c2c(c....
54	5U5U	Kd = 619 uM	NTN	C6 H7 N3	c1cnccc1C(....
55	2RC0	-	284	C6 H12 N2	C[C@H]1CCN....
56	4JPU	-	BEN	C7 H8 N2	[H]/N=C(c1....
57	1AC8	-	TMZ	C6 H10 N S	Cc1c(sc[n+....
58	1AEQ	-	2EZ	C5 H8 N2	CCc1[nH]cc....
59	2RBT	-	271	C8 H11 N	CNCc1ccccc....
60	2ANZ	Kd = 0.06 mM	26D	C5 H7 N3	c1cc(nc(c1....
61	1AEF	-	3AP	C5 H7 N2	c1cc(c[nH+....
62	5U60	-	7VS	C9 H9 N3	c1ccc2c(c1....
63	4XV4	Kd = 68 mM	25T	C4 H7 N2 S	Cc1c[nH+]c....
64	1AEM	-	MPI	C7 H7 N2	c1cc[n+]2c....
65	4JPT	-	Q24	C8 H8 N4	c1ccc2c(c1....
66	2RBX	-	3AY	C4 H7 N5	c1c(nc(nc1....
67	4JM8	-	26D	C5 H7 N3	c1cc(nc(c1....
68	4JMW	-	IPH	C6 H6 O	c1ccc(cc1)....
69	2RBW	-	275	C7 H11 N2	Cc1ccc(c[n....
70	2RC2	-	286	C8 H10 N	C[n+]1cccc....
71	1AEN	-	25T	C4 H7 N2 S	Cc1c[nH+]c....
72	2V2E	-	ISZ	C6 H5 N3 O	[H]/N=N/C(....
73	5U5W	Kd = 154 uM	7W1	C10 H10 N2	Cc1cnc2ccc....
74	4JM5	-	25T	C4 H7 N2 S	Cc1c[nH+]c....
75	2EUO	-	LG5	C6 H10 N2	CN1CC=CC(=....
76	1AEG	-	4AP	C5 H7 N2	c1c[nH+]cc....
77	2AQD	-	DA1	C5 H7 N3	c1cc(ncc1N....
78	1AC4	-	TMT	C6 H10 N S	Cc1csc([n+....
79	2EUR	-	PY7	C6 H7 N O	c1cnccc1CO

70% Homology Family (79)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	4JPL	-	4JP	C7 H6 N2	c1cc2c(cc[....
2	2EUS	-	ABN	C7 H9 N	c1ccc(cc1)....
3	2RBV	-	278	C6 H10 N2	Cn1cccc1CN
4	2EUU	-	BVG	C4 H6 N2 O	c1cnc([nH]....
5	1AEH	-	24T	C4 H6 N2 S	Cc1csc(n1)....
6	5U5X	Kd = 1.3 uM	TP5	C5 H6 N2 S	[H]/N=C(c1....
7	4JM6	-	LG3	C4 H6 N4	c1cnc(nc1N....
8	4JQM	-	1LQ	C8 H7 N3	c1ccc2c(c1....
9	5UG2	Kd ~ 712 uM	86J	C8 H8 F N3	Cc1c(n2cc(....
10	2RBZ	-	282	C6 H7 N O	COc1cccnc1
11	2RC1	-	285	C6 H13 N O	CC1[C@H](O....
12	1AEU	-	2MZ	C4 H6 N2	Cc1[nH]ccn....
13	1AED	-	DTI	C5 H8 N S	Cc1csc[n+]....
14	4JMZ	Kd = 288 uM	1M2	C8 H9 N3	CNc1[nH]c2....
15	2AS4	Kd = 7.7 mM	3FA	C6 H5 F O2	c1cc(c(c(c....
16	4JM9	-	LG5	C6 H10 N2	CN1CC=CC(=....
17	1AEK	-	IDM	C8 H9 N	c1ccc2c(c1....
18	5U5Y	Kd = 522 uM	7W4	C8 H9 N3	Cc1c(n2ccc....
19	1AEV	-	AMT	C3 H4 N2 S	c1csc(n1)N
20	4A78	-	JZ3	C7 H8 O2	COc1ccccc1....
21	1CMP	Kd = 0.027 mM	DMI	C5 H9 N2	Cc1[nH+]cc....
22	2AS6	-	1CB	C5 H11 N	C1CCC(C1)N
23	5U61	Kd = 0.04 uM	7WG	C6 H9 N3	c1c([nH]c(....
24	2EUP	Kd = 0.04 mM	LG4	C6 H8 N2	Cc1ccc(nc1....
25	2RBY	-	280	C5 H6 N2 O	Cn1cncc1C=....
26	4XV5	-	BZI	C7 H6 N2	c1ccc2c(c1....
27	1CCI	-	DMI	C5 H9 N2	Cc1[nH+]cc....
28	1RYC	-	BZI	C7 H6 N2	c1ccc2c(c1....
29	5U5Z	Kd = 3472 uM	7VP	C10 H10 N2	Cc1c[nH]c(....
30	2AS3	Kd = 4.1 mM	IPH	C6 H6 O	c1ccc(cc1)....
31	4XV8	-	BEN	C7 H8 N2	[H]/N=C(c1....
32	1KXM	Kd = 0.14 mM	BZI	C7 H6 N2	c1ccc2c(c1....
33	2EUN	Kd = 0.05 mM	LG3	C4 H6 N4	c1cnc(nc1N....
34	4XV7	-	1LQ	C8 H7 N3	c1ccc2c(c1....
35	4JQK	-	1LN	C7 H11 N2 O	C1=CC=[N](....
36	2AS2	-	2IM	C5 H10 N2	C1CCNC(=N)....
37	2EUQ	Kd = 0.05 mM	BVC	C5 H7 N S	c1cscc1CN
38	4A6Z	-	JZ3	C7 H8 O2	COc1ccccc1....
39	1AEB	-	3MT	C4 H6 N S	C[n+]1ccsc....
40	4JQJ	-	1LM	C9 H8 N2	c1ccc2c(c1....
41	4JMA	-	3FA	C6 H5 F O2	c1cc(c(c(c....
42	1AET	-	1MZ	C4 H7 N2	Cn1cc[nH+]....
43	2X08	-	ASC	C6 H8 O6	C([C@@H]([....
44	2AS1	Kd = 0.02 mM	TP5	C5 H6 N2 S	[H]/N=C(c1....
45	1AEJ	-	NVI	C5 H7 N2	C=C[n+]1cc....
46	2Y5A	Kd = 0.055 mM	3AP	C5 H7 N2	c1cc(c[nH+....
47	1AEO	-	2AP	C5 H7 N2	c1cc[nH+]c....
48	2EUT	-	BVF	C6 H8 N2	Cc1ccnc(c1....
49	2RBU	-	273	C6 H12 N2	[H]/N=C(C1....
50	4A71	-	IPH	C6 H6 O	c1ccc(cc1)....
51	3EXB	-	EXB GLY ALA ALA NH2	n/a	n/a
52	4JQN	-	HBA	C7 H6 O2	c1cc(ccc1C....
53	5U5V	Kd = 29.6 uM	7WA	C7 H7 N3	c1cc(c2c(c....
54	5U5U	Kd = 619 uM	NTN	C6 H7 N3	c1cnccc1C(....
55	2RC0	-	284	C6 H12 N2	C[C@H]1CCN....
56	4JPU	-	BEN	C7 H8 N2	[H]/N=C(c1....
57	1AC8	-	TMZ	C6 H10 N S	Cc1c(sc[n+....
58	1AEQ	-	2EZ	C5 H8 N2	CCc1[nH]cc....
59	2RBT	-	271	C8 H11 N	CNCc1ccccc....
60	2ANZ	Kd = 0.06 mM	26D	C5 H7 N3	c1cc(nc(c1....
61	1AEF	-	3AP	C5 H7 N2	c1cc(c[nH+....
62	5U60	-	7VS	C9 H9 N3	c1ccc2c(c1....
63	4XV4	Kd = 68 mM	25T	C4 H7 N2 S	Cc1c[nH+]c....
64	1AEM	-	MPI	C7 H7 N2	c1cc[n+]2c....
65	4JPT	-	Q24	C8 H8 N4	c1ccc2c(c1....
66	2RBX	-	3AY	C4 H7 N5	c1c(nc(nc1....
67	4JM8	-	26D	C5 H7 N3	c1cc(nc(c1....
68	4JMW	-	IPH	C6 H6 O	c1ccc(cc1)....
69	2RBW	-	275	C7 H11 N2	Cc1ccc(c[n....
70	2RC2	-	286	C8 H10 N	C[n+]1cccc....
71	1AEN	-	25T	C4 H7 N2 S	Cc1c[nH+]c....
72	2V2E	-	ISZ	C6 H5 N3 O	[H]/N=N/C(....
73	5U5W	Kd = 154 uM	7W1	C10 H10 N2	Cc1cnc2ccc....
74	4JM5	-	25T	C4 H7 N2 S	Cc1c[nH+]c....
75	2EUO	-	LG5	C6 H10 N2	CN1CC=CC(=....
76	1AEG	-	4AP	C5 H7 N2	c1c[nH+]cc....
77	2AQD	-	DA1	C5 H7 N3	c1cc(ncc1N....
78	1AC4	-	TMT	C6 H10 N S	Cc1csc([n+....
79	2EUR	-	PY7	C6 H7 N O	c1cnccc1CO

50% Homology Family (80)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 3 families.
1	4JPL	-	4JP	C7 H6 N2	c1cc2c(cc[....
2	2EUS	-	ABN	C7 H9 N	c1ccc(cc1)....
3	2RBV	-	278	C6 H10 N2	Cn1cccc1CN
4	2EUU	-	BVG	C4 H6 N2 O	c1cnc([nH]....
5	1AEH	-	24T	C4 H6 N2 S	Cc1csc(n1)....
6	5U5X	Kd = 1.3 uM	TP5	C5 H6 N2 S	[H]/N=C(c1....
7	4JM6	-	LG3	C4 H6 N4	c1cnc(nc1N....
8	4JQM	-	1LQ	C8 H7 N3	c1ccc2c(c1....
9	5UG2	Kd ~ 712 uM	86J	C8 H8 F N3	Cc1c(n2cc(....
10	2RBZ	-	282	C6 H7 N O	COc1cccnc1
11	2RC1	-	285	C6 H13 N O	CC1[C@H](O....
12	1AEU	-	2MZ	C4 H6 N2	Cc1[nH]ccn....
13	1AED	-	DTI	C5 H8 N S	Cc1csc[n+]....
14	4JMZ	Kd = 288 uM	1M2	C8 H9 N3	CNc1[nH]c2....
15	2AS4	Kd = 7.7 mM	3FA	C6 H5 F O2	c1cc(c(c(c....
16	4JM9	-	LG5	C6 H10 N2	CN1CC=CC(=....
17	1AEK	-	IDM	C8 H9 N	c1ccc2c(c1....
18	5U5Y	Kd = 522 uM	7W4	C8 H9 N3	Cc1c(n2ccc....
19	1AEV	-	AMT	C3 H4 N2 S	c1csc(n1)N
20	4A78	-	JZ3	C7 H8 O2	COc1ccccc1....
21	1CMP	Kd = 0.027 mM	DMI	C5 H9 N2	Cc1[nH+]cc....
22	2AS6	-	1CB	C5 H11 N	C1CCC(C1)N
23	5U61	Kd = 0.04 uM	7WG	C6 H9 N3	c1c([nH]c(....
24	2EUP	Kd = 0.04 mM	LG4	C6 H8 N2	Cc1ccc(nc1....
25	2RBY	-	280	C5 H6 N2 O	Cn1cncc1C=....
26	4XV5	-	BZI	C7 H6 N2	c1ccc2c(c1....
27	1CCI	-	DMI	C5 H9 N2	Cc1[nH+]cc....
28	1RYC	-	BZI	C7 H6 N2	c1ccc2c(c1....
29	5U5Z	Kd = 3472 uM	7VP	C10 H10 N2	Cc1c[nH]c(....
30	2AS3	Kd = 4.1 mM	IPH	C6 H6 O	c1ccc(cc1)....
31	4XV8	-	BEN	C7 H8 N2	[H]/N=C(c1....
32	1KXM	Kd = 0.14 mM	BZI	C7 H6 N2	c1ccc2c(c1....
33	2EUN	Kd = 0.05 mM	LG3	C4 H6 N4	c1cnc(nc1N....
34	4XV7	-	1LQ	C8 H7 N3	c1ccc2c(c1....
35	4JQK	-	1LN	C7 H11 N2 O	C1=CC=[N](....
36	2AS2	-	2IM	C5 H10 N2	C1CCNC(=N)....
37	2EUQ	Kd = 0.05 mM	BVC	C5 H7 N S	c1cscc1CN
38	4A6Z	-	JZ3	C7 H8 O2	COc1ccccc1....
39	1AEB	-	3MT	C4 H6 N S	C[n+]1ccsc....
40	4JQJ	-	1LM	C9 H8 N2	c1ccc2c(c1....
41	4JMA	-	3FA	C6 H5 F O2	c1cc(c(c(c....
42	1AET	-	1MZ	C4 H7 N2	Cn1cc[nH+]....
43	2X08	-	ASC	C6 H8 O6	C([C@@H]([....
44	2AS1	Kd = 0.02 mM	TP5	C5 H6 N2 S	[H]/N=C(c1....
45	1AEJ	-	NVI	C5 H7 N2	C=C[n+]1cc....
46	2Y5A	Kd = 0.055 mM	3AP	C5 H7 N2	c1cc(c[nH+....
47	1AEO	-	2AP	C5 H7 N2	c1cc[nH+]c....
48	2EUT	-	BVF	C6 H8 N2	Cc1ccnc(c1....
49	2RBU	-	273	C6 H12 N2	[H]/N=C(C1....
50	4A71	-	IPH	C6 H6 O	c1ccc(cc1)....
51	3EXB	-	EXB GLY ALA ALA NH2	n/a	n/a
52	4JQN	-	HBA	C7 H6 O2	c1cc(ccc1C....
53	5U5V	Kd = 29.6 uM	7WA	C7 H7 N3	c1cc(c2c(c....
54	5U5U	Kd = 619 uM	NTN	C6 H7 N3	c1cnccc1C(....
55	2RC0	-	284	C6 H12 N2	C[C@H]1CCN....
56	4JPU	-	BEN	C7 H8 N2	[H]/N=C(c1....
57	1AC8	-	TMZ	C6 H10 N S	Cc1c(sc[n+....
58	1AEQ	-	2EZ	C5 H8 N2	CCc1[nH]cc....
59	2RBT	-	271	C8 H11 N	CNCc1ccccc....
60	2ANZ	Kd = 0.06 mM	26D	C5 H7 N3	c1cc(nc(c1....
61	1AEF	-	3AP	C5 H7 N2	c1cc(c[nH+....
62	5U60	-	7VS	C9 H9 N3	c1ccc2c(c1....
63	4XV4	Kd = 68 mM	25T	C4 H7 N2 S	Cc1c[nH+]c....
64	1AEM	-	MPI	C7 H7 N2	c1cc[n+]2c....
65	4JPT	-	Q24	C8 H8 N4	c1ccc2c(c1....
66	2RBX	-	3AY	C4 H7 N5	c1c(nc(nc1....
67	4JM8	-	26D	C5 H7 N3	c1cc(nc(c1....
68	4JMW	-	IPH	C6 H6 O	c1ccc(cc1)....
69	2RBW	-	275	C7 H11 N2	Cc1ccc(c[n....
70	2RC2	-	286	C8 H10 N	C[n+]1cccc....
71	1AEN	-	25T	C4 H7 N2 S	Cc1c[nH+]c....
72	2V2E	-	ISZ	C6 H5 N3 O	[H]/N=N/C(....
73	5U5W	Kd = 154 uM	7W1	C10 H10 N2	Cc1cnc2ccc....
74	4JM5	-	25T	C4 H7 N2 S	Cc1c[nH+]c....
75	2EUO	-	LG5	C6 H10 N2	CN1CC=CC(=....
76	1AEG	-	4AP	C5 H7 N2	c1c[nH+]cc....
77	2AQD	-	DA1	C5 H7 N3	c1cc(ncc1N....
78	1AC4	-	TMT	C6 H10 N S	Cc1csc([n+....
79	2EUR	-	PY7	C6 H7 N O	c1cnccc1CO
80	2VCF	-	ISZ	C6 H5 N3 O	[H]/N=N/C(....

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: LG5; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	LG5	1	1

Similar Ligands (3D)

Ligand no: 1; Ligand: LG5; Similar ligands found: 791

No:	Ligand	Similarity coefficient
1	RCO	1.0000
2	CIG	1.0000
3	BVF	1.0000
4	26D	1.0000
5	LG3	1.0000
6	3CH	1.0000
7	8GF	1.0000
8	M3T	1.0000
9	URA	1.0000
10	CYT	1.0000
11	CRS	1.0000
12	284	1.0000
13	DUC	0.9988
14	B3R	0.9982
15	HEW	0.9977
16	4H2	0.9970
17	HGQ	0.9953
18	HHQ	0.9879
19	IDH	0.9870
20	HPY	0.9857
21	24T	0.9817
22	RSF	0.9760
23	CYH	0.9741
24	E60	0.9734
25	HYN	0.9730
26	CXL	0.9729
27	5ZE	0.9727
28	URF	0.9723
29	3ZQ	0.9719
30	MCT	0.9718
31	4ZE	0.9714
32	13X	0.9706
33	3AY	0.9706
34	AX2	0.9705
35	WDL	0.9701
36	2ZX	0.9700
37	HAI	0.9697
38	WBU	0.9697
39	MWM	0.9696
40	2AC	0.9693
41	2DR	0.9692
42	V1L	0.9692
43	XYP	0.9691
44	A1U	0.9688
45	XYD	0.9688
46	275	0.9687
47	TM7	0.9683
48	CEJ	0.9680
49	6UA	0.9680
50	4HO	0.9678
51	XBZ	0.9678
52	ICP	0.9674
53	PYD	0.9674
54	TDR	0.9674
55	1MC	0.9673
56	MBD	0.9672
57	34A	0.9668
58	2MP	0.9668
59	285	0.9663
60	MBN	0.9662
61	4CL	0.9656
62	3AP	0.9652
63	2C9	0.9649
64	2YU	0.9649
65	HT4	0.9647
66	2MY	0.9646
67	BR8	0.9644
68	BR9	0.9644
69	ERH	0.9643
70	3FA	0.9640
71	282	0.9640
72	25T	0.9638
73	40O	0.9637
74	4JJ	0.9637
75	9PO	0.9636
76	IPH	0.9636
77	HVK	0.9633
78	2AP	0.9633
79	FFP	0.9633
80	GMN	0.9632
81	PYG	0.9632
82	WOT	0.9632
83	5UC	0.9625
84	3MC	0.9625
85	JZ2	0.9624
86	27Y	0.9623
87	5JC	0.9621
88	FLM	0.9621
89	TM4	0.9620
90	HRZ	0.9616
91	DMG	0.9613
92	6MH	0.9610
93	DUB	0.9608
94	H3M	0.9607
95	A2Q	0.9606
96	4AP	0.9604
97	MZG	0.9600
98	43M	0.9600
99	LGA	0.9600
100	TH0	0.9598
101	3CE	0.9594
102	MWJ	0.9593
103	8CL	0.9592
104	47J	0.9590
105	2CM	0.9589
106	8LG	0.9588
107	5AN	0.9587
108	92Z	0.9586
109	BEW	0.9586
110	CAQ	0.9584
111	2IM	0.9582
112	7EX	0.9580
113	93Q	0.9575
114	XIX	0.9574
115	4JO	0.9573
116	L89	0.9567
117	1AN	0.9566
118	5MH	0.9565
119	GXE	0.9562
120	76X	0.9560
121	FP2	0.9558
122	2AF	0.9557
123	3MH	0.9557
124	2CH	0.9548
125	HHN	0.9543
126	IUR	0.9537
127	HTS	0.9534
128	C2A	0.9532
129	TTO	0.9532
130	OXE	0.9529
131	ECE	0.9529
132	Y8I	0.9521
133	DTI	0.9516
134	RP7	0.9514
135	C5J	0.9505
136	TLD	0.9505
137	2KT	0.9504
138	280	0.9502
139	JZ0	0.9499
140	AHR	0.9498
141	DTL	0.9498
142	JZ3	0.9493
143	MLM	0.9492
144	AMC	0.9490
145	NK	0.9488
146	938	0.9485
147	TCZ	0.9484
148	93B	0.9470
149	94N	0.9468
150	M2H	0.9467
151	TMT	0.9467
152	L60	0.9460
153	23W	0.9460
154	PIH	0.9458
155	SYN	0.9455
156	MLI	0.9453
157	PYF	0.9452
158	6X8	0.9452
159	HGW	0.9451
160	FPI	0.9451
161	MLA	0.9450
162	0R0	0.9448
163	HSL	0.9439
164	23A	0.9437
165	ABN	0.9437
166	GBD	0.9428
167	HPA	0.9426
168	R8S	0.9424
169	3Z7	0.9422
170	MB3	0.9421
171	LXC	0.9420
172	HBX	0.9419
173	ICC	0.9417
174	P2D	0.9416
175	7HP	0.9412
176	9HX	0.9411
177	MZ0	0.9404
178	6MP	0.9403
179	GAG	0.9403
180	ADE	0.9402
181	9DA	0.9400
182	J1Z	0.9399
183	MMZ	0.9394
184	4ZC	0.9393
185	MLT	0.9393
186	XYS	0.9390
187	1XX	0.9390
188	DXX	0.9387
189	GVH	0.9383
190	KSW	0.9383
191	1PT	0.9382
192	YAN	0.9381
193	DSN	0.9377
194	0CT	0.9376
195	OXQ	0.9374
196	0R1	0.9374
197	4XX	0.9372
198	BZI	0.9372
199	TMZ	0.9370
200	DMI	0.9365
201	DEN	0.9360
202	4JP	0.9359
203	HY3	0.9359
204	HIU	0.9358
205	JIF	0.9356
206	4XR	0.9355
207	BP1	0.9354
208	5AC	0.9354
209	BZF	0.9352
210	PM6	0.9351
211	BTE	0.9350
212	IND	0.9342
213	10L	0.9341
214	MZW	0.9339
215	CYS	0.9339
216	LZ1	0.9337
217	APY	0.9331
218	1MR	0.9330
219	DGY	0.9330
220	PY7	0.9328
221	2A7	0.9327
222	1DH	0.9326
223	MPI	0.9326
224	ES4	0.9325
225	YHO	0.9319
226	P3K	0.9315
227	7WA	0.9308
228	GOL	0.9308
229	1DW	0.9307
230	F05	0.9307
231	KG7	0.9305
232	0TR	0.9302
233	O7U	0.9301
234	R8A	0.9300
235	T6C	0.9295
236	4JU	0.9294
237	IDM	0.9293
238	NBE	0.9292
239	60P	0.9290
240	4AX	0.9290
241	9EW	0.9289
242	35C	0.9287
243	PLQ	0.9286
244	DFB	0.9284
245	7CZ	0.9283
246	HLR	0.9281
247	286	0.9280
248	278	0.9275
249	7MH	0.9273
250	S76	0.9271
251	FPY	0.9269
252	NMJ	0.9268
253	BZX	0.9259
254	6AI	0.9258
255	3PY	0.9256
256	MAK	0.9255
257	IFM	0.9247
258	DA1	0.9246
259	NEQ	0.9245
260	NVI	0.9244
261	PCR	0.9242
262	150	0.9238
263	HQE	0.9236
264	LG4	0.9228
265	SVN	0.9227
266	PYJ	0.9226
267	2MH	0.9225
268	JBE	0.9224
269	5MB	0.9223
270	3XX	0.9222
271	PXY	0.9218
272	SER	0.9215
273	FPN	0.9215
274	BVC	0.9212
275	SAL	0.9208
276	0RW	0.9205
277	5H1	0.9204
278	FOA	0.9202
279	1WG	0.9201
280	9CL	0.9199
281	3MT	0.9198
282	JZ1	0.9195
283	ES9	0.9193
284	25R	0.9191
285	BAQ	0.9191
286	3U4	0.9185
287	2K4	0.9184
288	14O	0.9182
289	B24	0.9182
290	12M	0.9182
291	3TR	0.9179
292	6HQ	0.9179
293	0MK	0.9174
294	OXZ	0.9174
295	F60	0.9173
296	AZF	0.9173
297	QOS	0.9170
298	5MI	0.9170
299	RIP	0.9169
300	4SV	0.9168
301	5HN	0.9168
302	TBP	0.9166
303	H76	0.9165
304	2CQ	0.9165
305	ES6	0.9165
306	F81	0.9164
307	1CB	0.9164
308	AMT	0.9163
309	FUC	0.9163
310	ZZ3	0.9160
311	PYC	0.9160
312	PRO	0.9159
313	AGK	0.9157
314	FW5	0.9157
315	BE2	0.9155
316	JFD	0.9152
317	RIB	0.9150
318	F4Z	0.9149
319	BML	0.9149
320	DFU	0.9143
321	11S	0.9141
322	ARB	0.9140
323	1MZ	0.9137
324	ABA	0.9134
325	265	0.9133
326	LER	0.9132
327	AAE	0.9132
328	8GC	0.9129
329	3NT	0.9128
330	4HS	0.9127
331	GIF	0.9126
332	4DX	0.9125
333	45C	0.9124
334	TC7	0.9122
335	MR3	0.9122
336	4JN	0.9118
337	FYU	0.9116
338	H4N	0.9115
339	MZY	0.9113
340	4CH	0.9113
341	ASP	0.9110
342	TP5	0.9110
343	4CS	0.9107
344	5MP	0.9106
345	Z6J	0.9106
346	JZ9	0.9105
347	TZC	0.9104
348	ATQ	0.9103
349	4MZ	0.9102
350	JBN	0.9100
351	VAL	0.9100
352	YTB	0.9100
353	53C	0.9098
354	FK1	0.9096
355	JAB	0.9095
356	ARA	0.9095
357	2MZ	0.9093
358	TAR	0.9091
359	64K	0.9091
360	3AB	0.9091
361	HOW	0.9087
362	5RG	0.9087
363	SEJ	0.9087
364	3GR	0.9085
365	6M9	0.9084
366	KOJ	0.9082
367	3HB	0.9082
368	9X7	0.9081
369	OVV	0.9081
370	JAE	0.9081
371	GAB	0.9081
372	2AI	0.9078
373	AZA	0.9074
374	HVQ	0.9074
375	6M4	0.9074
376	GBL	0.9072
377	25W	0.9072
378	KIV	0.9071
379	JZ6	0.9071
380	5KX	0.9071
381	HX3	0.9070
382	6AP	0.9070
383	GUN	0.9068
384	OHG	0.9066
385	WCE	0.9065
386	FUL	0.9065
387	QUZ	0.9064
388	NCA	0.9064
389	YCP	0.9064
390	BVG	0.9063
391	NIO	0.9063
392	A2F	0.9063
393	8NY	0.9062
394	NBZ	0.9061
395	1WD	0.9060
396	L3Q	0.9058
397	AUD	0.9057
398	3SK	0.9056
399	HMH	0.9055
400	BEZ	0.9055
401	BEN	0.9052
402	GLC	0.9052
403	1DU	0.9051
404	FUF	0.9051
405	M1E	0.9051
406	XQG	0.9051
407	IGA	0.9050
408	PZA	0.9050
409	9DG	0.9043
410	YH7	0.9042
411	3BZ	0.9041
412	XAN	0.9040
413	AZG	0.9040
414	BRT	0.9037
415	2PC	0.9036
416	LDU	0.9034
417	SMV	0.9032
418	VGL	0.9031
419	290	0.9030
420	273	0.9030
421	6PC	0.9027
422	54G	0.9026
423	JKE	0.9025
424	G6D	0.9025
425	1XM	0.9023
426	GTQ	0.9022
427	Q88	0.9021
428	BYZ	0.9021
429	B20	0.9020
430	C21	0.9019
431	5M0	0.9017
432	OXL	0.9014
433	6GU	0.9012
434	141	0.9012
435	ES3	0.9011
436	03W	0.9010
437	BOA	0.9010
438	FCA	0.9010
439	4SD	0.9010
440	2XX	0.9009
441	0PY	0.9008
442	F0J	0.9008
443	P1R	0.9007
444	R2B	0.9005
445	CFP	0.9002
446	BP9	0.8998
447	NPY	0.8998
448	7HQ	0.8997
449	PYR	0.8996
450	DX4	0.8995
451	EDG	0.8995
452	I3A	0.8994
453	6SP	0.8992
454	BNZ	0.8991
455	PCA	0.8991
456	1P3	0.8991
457	IP0	0.8990
458	14J	0.8990
459	CIZ	0.8990
460	6CS	0.8989
461	SWD	0.8987
462	VNJ	0.8986
463	OXM	0.8985
464	ITN	0.8984
465	9TY	0.8982
466	3MA	0.8982
467	ADK	0.8982
468	7WV	0.8980
469	ZZT	0.8977
470	TH7	0.8977
471	BAM	0.8976
472	270	0.8976
473	1AB	0.8976
474	2RA	0.8976
475	5MK	0.8974
476	IOL	0.8973
477	DIE	0.8973
478	261	0.8972
479	PHZ	0.8972
480	HUI	0.8971
481	OXD	0.8970
482	AX7	0.8969
483	OAA	0.8968
484	DAB	0.8966
485	HGY	0.8965
486	THR	0.8965
487	CRN	0.8965
488	1AC	0.8963
489	A3B	0.8962
490	DBB	0.8962
491	ABE	0.8961
492	BCP	0.8960
493	CP	0.8959
494	PYZ	0.8958
495	GXV	0.8957
496	IT2	0.8957
497	ALO	0.8954
498	CWM	0.8953
499	IMR	0.8953
500	DCY	0.8952
501	DAL	0.8951
502	SX1	0.8951
503	HBA	0.8949
504	ES0	0.8946
505	URQ	0.8945
506	2OP	0.8945
507	V55	0.8944
508	HH5	0.8941
509	SMB	0.8939
510	R1X	0.8938
511	2MI	0.8938
512	DPR	0.8938
513	XXR	0.8938
514	0CU	0.8935
515	P92	0.8932
516	192	0.8927
517	7WG	0.8927
518	UNU	0.8925
519	TFB	0.8922
520	LMR	0.8918
521	NTN	0.8916
522	HMU	0.8916
523	51F	0.8916
524	42A	0.8915
525	KYD	0.8913
526	M1A	0.8913
527	PRS	0.8912
528	NSP	0.8908
529	24B	0.8905
530	1XN	0.8903
531	9TZ	0.8897
532	AC0	0.8895
533	LAC	0.8893
534	4HM	0.8891
535	PYM	0.8890
536	FAN	0.8890
537	1P7	0.8889
538	4VP	0.8889
539	M58	0.8889
540	FCB	0.8888
541	ALA	0.8886
542	3OC	0.8884
543	TMH	0.8883
544	NOJ	0.8880
545	URP	0.8877
546	NAK	0.8877
547	SS1	0.8876
548	1SQ	0.8875
549	KPL	0.8875
550	HSE	0.8875
551	FLA	0.8874
552	GIO	0.8874
553	HIO	0.8870
554	BUO	0.8869
555	JBK	0.8869
556	PHB	0.8868
557	DTU	0.8867
558	ABV	0.8867
559	MRY	0.8865
560	4M4	0.8863
561	2EZ	0.8863
562	ES1	0.8862
563	N5J	0.8862
564	1LQ	0.8861
565	MFB	0.8861
566	5Q0	0.8860
567	3M0	0.8860
568	C2N	0.8859
569	LZM	0.8859
570	SS2	0.8859
571	IHG	0.8858
572	RM1	0.8858
573	5B1	0.8855
574	1LM	0.8855
575	JPZ	0.8855
576	TZE	0.8853
577	QSC	0.8853
578	4YS	0.8851
579	9YL	0.8850
580	5IQ	0.8848
581	JBH	0.8846
582	3F0	0.8845
583	1NP	0.8844
584	3MB	0.8844
585	ADZ	0.8843
586	TLA	0.8842
587	5SG	0.8842
588	OVM	0.8841
589	O72	0.8840
590	RSO	0.8840
591	G2F	0.8839
592	UGC	0.8836
593	DTT	0.8836
594	IPZ	0.8836
595	GYE	0.8834
596	PBC	0.8832
597	HQY	0.8831
598	PAF	0.8830
599	FP1	0.8829
600	PAE	0.8828
601	JFJ	0.8828
602	G4D	0.8825
603	DBH	0.8823
604	SGL	0.8821
605	NCM	0.8819
606	3HA	0.8819
607	EUG	0.8819
608	HCS	0.8816
609	UY7	0.8815
610	7B4	0.8814
611	HZP	0.8813
612	2CK	0.8813
613	MAE	0.8813
614	6LW	0.8811
615	PRI	0.8810
616	OXC	0.8808
617	3ZS	0.8808
618	GOO	0.8807
619	HH8	0.8803
620	67N	0.8800
621	RUU	0.8800
622	69O	0.8800
623	NVA	0.8797
624	DPF	0.8797
625	5OB	0.8795
626	FPK	0.8795
627	BAE	0.8794
628	RM4	0.8790
629	32O	0.8789
630	PBE	0.8789
631	3DM	0.8788
632	FQI	0.8787
633	4JL	0.8786
634	5Y9	0.8783
635	ORO	0.8782
636	RNS	0.8778
637	NIS	0.8774
638	3OH	0.8774
639	DOR	0.8774
640	FRU	0.8772
641	LRH	0.8770
642	AKB	0.8767
643	ASN	0.8767
644	RAM	0.8761
645	F5B	0.8761
646	II6	0.8760
647	2ZV	0.8759
648	QWN	0.8759
649	24W	0.8759
650	1SP	0.8759
651	8H8	0.8755
652	JB5	0.8749
653	DGJ	0.8749
654	4XH	0.8744
655	3DO	0.8744
656	IQ0	0.8743
657	HYP	0.8742
658	SSN	0.8741
659	BNS	0.8735
660	PEA	0.8735
661	FBA	0.8730
662	COU	0.8729
663	40E	0.8729
664	XRG	0.8728
665	4FS	0.8727
666	MRZ	0.8727
667	9X6	0.8727
668	EXO	0.8724
669	MMU	0.8723
670	7W4	0.8723
671	NXA	0.8722
672	BZ3	0.8720
673	XUL	0.8720
674	H8N	0.8719
675	03V	0.8718
676	4JM	0.8718
677	OW4	0.8718
678	2AQ	0.8717
679	5NU	0.8715
680	IFL	0.8714
681	FUB	0.8712
682	XBT	0.8711
683	6F0	0.8710
684	82I	0.8710
685	5CU	0.8710
686	CEE	0.8708
687	ES5	0.8708
688	9MG	0.8708
689	2LP	0.8708
690	QXW	0.8705
691	GRE	0.8704
692	7NI	0.8700
693	MAN	0.8699
694	C2B	0.8699
695	5VM	0.8698
696	TIU	0.8694
697	ALQ	0.8693
698	2D0	0.8692
699	34D	0.8692
700	ISN	0.8689
701	KKN	0.8688
702	BSX	0.8688
703	DYA	0.8688
704	DMD	0.8687
705	GAL	0.8687
706	JZ4	0.8686
707	98J	0.8686
708	42C	0.8685
709	D1X	0.8683
710	DHB	0.8683
711	EQT	0.8682
712	4NC	0.8681
713	TB6	0.8680
714	717	0.8678
715	MEU	0.8677
716	XM0	0.8671
717	ASO	0.8670
718	BAL	0.8667
719	XQ0	0.8667
720	BHA	0.8667
721	5WV	0.8667
722	DOB	0.8666
723	HSM	0.8662
724	HHA	0.8660
725	SAR	0.8659
726	4M0	0.8659
727	IF7	0.8657
728	AW5	0.8655
729	H42	0.8653
730	VGD	0.8651
731	FA0	0.8648
732	T2C	0.8647
733	Q6T	0.8646
734	I2M	0.8645
735	3ID	0.8645
736	93K	0.8642
737	TEO	0.8641
738	DMJ	0.8639
739	G5V	0.8636
740	3HM	0.8635
741	PEL	0.8634
742	260	0.8633
743	2AL	0.8629
744	ET2	0.8628
745	RB5	0.8626
746	ZBT	0.8623
747	MYJ	0.8622
748	UNC	0.8621
749	1P8	0.8621
750	ILE	0.8619
751	P9P	0.8615
752	C2U	0.8614
753	1DQ	0.8614
754	B53	0.8613
755	MR1	0.8612
756	PZI	0.8611
757	4A3	0.8611
758	XCZ	0.8609
759	FOT	0.8608
760	CSS	0.8606
761	B55	0.8603
762	INO	0.8602
763	4PW	0.8598
764	NNO	0.8597
765	FHB	0.8592
766	NPO	0.8585
767	51R	0.8582
768	JZ5	0.8580
769	PKU	0.8579
770	SF9	0.8578
771	6JN	0.8578
772	NOY	0.8572
773	DCD	0.8572
774	5RN	0.8571
775	6M1	0.8571
776	PRY	0.8570
777	LCN	0.8567
778	HY1	0.8565
779	SR1	0.8565
780	IJZ	0.8563
781	8EZ	0.8558
782	1LN	0.8556
783	BUA	0.8555
784	BHO	0.8553
785	EV0	0.8547
786	BTY	0.8539
787	AS3	0.8524
788	271	0.8523
789	QSB	0.8522
790	DAS	0.8515
791	5JL	0.8506

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

Pocket No.: 1; Query (leader) PDB : 5U61; Ligand: 7WG; 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: 5u61.bio1) has 38 residues
No:	Leader PDB	Ligand	Sequence Similarity

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