Binding MOAD - The Mother of All Databases

Navigate: Expand All | Collapse All; Receptor | Ligand | View in 3D; Family: 90% | 70% | 50% | site
External Links: |
Download: Structure Biounit | Ligand Information; PDB : .ZIP | .CSV; Family 90% : .ZIP | .CSV; Class : .ZIP | .CSV

Receptor

PDB id	Resolution	Class	Description	Source	Keywords
4JPL	1.41 Å	EC: 1.11.1.5	CRYSTAL STRUCTURE OF CYTOCHROME C PEROXIDASE W191G-GATELESS WITH 4-AZAINDOLE	SACCHAROMYCES CEREVISIAE	MODEL SYSTEM LIGAND BINDING FREE ENERGY CALCULATION MOLECDYNAMICS 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
4JP	A:302;	Valid;	none;	submit data	118.136	C7 H6 N2	c1cc2...
HEM	A:301;	Part of Protein;	none;	submit data	616.487	C34 H32 Fe N4 O4	Cc1c2...
PO4	A:303;	Invalid;	none;	submit data	94.971	O4 P	[O-]P...

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: 4JP; Similar ligands found: 1

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	4JP	1	1

Similar Ligands (3D)

Ligand no: 1; Ligand: 4JP; Similar ligands found: 946

No:	Ligand	Similarity coefficient
1	IND	1.0000
2	MPI	1.0000
3	BZI	1.0000
4	LZ1	1.0000
5	GVH	1.0000
6	0CT	1.0000
7	DEN	1.0000
8	1PT	0.9958
9	0R1	0.9900
10	IDM	0.9889
11	BEN	0.9886
12	BZF	0.9883
13	BAM	0.9870
14	JZ9	0.9840
15	J1Z	0.9834
16	NCA	0.9818
17	QUZ	0.9797
18	NPY	0.9795
19	NIO	0.9791
20	F05	0.9770
21	ADE	0.9770
22	RSF	0.9767
23	NTN	0.9765
24	HLR	0.9764
25	HPA	0.9762
26	6PC	0.9761
27	9EW	0.9756
28	0TR	0.9746
29	VGL	0.9745
30	PZA	0.9743
31	0RW	0.9737
32	270	0.9735
33	3ZQ	0.9735
34	9DA	0.9731
35	10L	0.9730
36	6MP	0.9728
37	FOA	0.9720
38	7WA	0.9716
39	2K4	0.9714
40	BEZ	0.9713
41	7HP	0.9707
42	BP1	0.9705
43	9HX	0.9703
44	5H1	0.9701
45	URF	0.9699
46	AX7	0.9699
47	PRO	0.9696
48	282	0.9695
49	XYP	0.9695
50	UNU	0.9687
51	PM6	0.9683
52	F60	0.9682
53	14O	0.9677
54	WBU	0.9669
55	ES4	0.9668
56	SVN	0.9667
57	5MI	0.9663
58	TP5	0.9661
59	2MI	0.9661
60	5MB	0.9661
61	P92	0.9661
62	NK	0.9652
63	TDR	0.9649
64	SWD	0.9644
65	YCP	0.9641
66	LXC	0.9640
67	AHR	0.9638
68	FPI	0.9636
69	ES9	0.9631
70	1MC	0.9627
71	PYC	0.9621
72	SS1	0.9617
73	4JU	0.9617
74	FK1	0.9615
75	BZX	0.9614
76	H4N	0.9613
77	4HO	0.9612
78	NBZ	0.9608
79	CAQ	0.9607
80	11S	0.9606
81	6M9	0.9605
82	SAL	0.9604
83	2CK	0.9604
84	6M4	0.9588
85	XM0	0.9586
86	SYN	0.9579
87	JBN	0.9578
88	PLQ	0.9575
89	8NY	0.9574
90	JBE	0.9571
91	273	0.9568
92	5AC	0.9562
93	7CZ	0.9561
94	2PC	0.9559
95	LG4	0.9556
96	AMC	0.9556
97	40O	0.9552
98	MCT	0.9552
99	HQE	0.9548
100	6AI	0.9546
101	PY7	0.9545
102	1SQ	0.9541
103	OXE	0.9540
104	5UC	0.9538
105	FPN	0.9538
106	PCR	0.9537
107	1NP	0.9536
108	M58	0.9532
109	N5J	0.9531
110	XBZ	0.9531
111	4YS	0.9530
112	TZC	0.9526
113	QSC	0.9525
114	JPZ	0.9524
115	275	0.9523
116	1LQ	0.9521
117	TH0	0.9521
118	265	0.9521
119	3U4	0.9520
120	BE7	0.9519
121	2MH	0.9518
122	4SV	0.9517
123	ISN	0.9517
124	1WG	0.9516
125	NBE	0.9515
126	DA1	0.9515
127	MAK	0.9515
128	5SG	0.9513
129	JAE	0.9509
130	ES1	0.9507
131	BE2	0.9504
132	1LM	0.9500
133	ABN	0.9500
134	24W	0.9499
135	PYF	0.9495
136	FPY	0.9495
137	L89	0.9494
138	M1A	0.9493
139	MWM	0.9492
140	8LG	0.9488
141	67N	0.9485
142	JBH	0.9483
143	HH8	0.9483
144	CYH	0.9481
145	2MP	0.9480
146	25R	0.9479
147	PXY	0.9477
148	92Z	0.9474
149	ABV	0.9474
150	NMJ	0.9471
151	V1L	0.9471
152	4ZE	0.9470
153	XYS	0.9470
154	ADZ	0.9466
155	O72	0.9466
156	NPO	0.9465
157	CYT	0.9465
158	34A	0.9465
159	1WD	0.9463
160	OXQ	0.9459
161	150	0.9457
162	5WV	0.9457
163	3CH	0.9457
164	2YU	0.9454
165	Q88	0.9452
166	1AN	0.9451
167	GAG	0.9450
168	PBC	0.9449
169	C21	0.9447
170	EQT	0.9447
171	RCO	0.9447
172	8GC	0.9446
173	5MH	0.9444
174	5Q0	0.9442
175	3ID	0.9441
176	ICP	0.9441
177	PYD	0.9441
178	CXL	0.9439
179	URA	0.9437
180	93Q	0.9435
181	ES0	0.9434
182	2AC	0.9434
183	ES6	0.9434
184	BEW	0.9433
185	KKN	0.9433
186	7W4	0.9433
187	HPY	0.9430
188	HBX	0.9430
189	GBD	0.9429
190	ES7	0.9428
191	DUC	0.9426
192	5IQ	0.9425
193	TFB	0.9424
194	HQY	0.9424
195	JZ3	0.9421
196	LG3	0.9417
197	L3Q	0.9417
198	3MC	0.9416
199	DMD	0.9415
200	HAI	0.9414
201	FP2	0.9413
202	CRS	0.9412
203	OAA	0.9409
204	JAB	0.9408
205	IPH	0.9405
206	2CQ	0.9404
207	JZ0	0.9404
208	BHO	0.9404
209	JKE	0.9401
210	CWM	0.9398
211	AC0	0.9394
212	1DU	0.9393
213	ARB	0.9392
214	BTE	0.9391
215	XYD	0.9389
216	4XR	0.9388
217	1P7	0.9388
218	43M	0.9385
219	GUN	0.9385
220	BVF	0.9385
221	25W	0.9385
222	9DG	0.9382
223	26D	0.9381
224	2AF	0.9381
225	A1U	0.9379
226	QOS	0.9379
227	2CH	0.9379
228	4XH	0.9377
229	MZ0	0.9376
230	7WV	0.9375
231	4CH	0.9374
232	76X	0.9373
233	7B4	0.9373
234	RIP	0.9370
235	PYG	0.9369
236	27Y	0.9368
237	COU	0.9367
238	A2F	0.9367
239	JB5	0.9366
240	9PO	0.9366
241	5HN	0.9365
242	ICC	0.9365
243	2IM	0.9362
244	HMH	0.9361
245	60P	0.9361
246	TH7	0.9360
247	LG5	0.9359
248	4CL	0.9357
249	ECE	0.9357
250	MBN	0.9356
251	JZ5	0.9355
252	3AP	0.9355
253	03V	0.9355
254	2AQ	0.9354
255	APY	0.9354
256	1MR	0.9353
257	FYU	0.9351
258	6AP	0.9351
259	HY3	0.9348
260	MBD	0.9348
261	2AP	0.9348
262	BML	0.9348
263	XAN	0.9348
264	4FS	0.9344
265	KIV	0.9344
266	TM7	0.9343
267	4AP	0.9342
268	1DW	0.9342
269	ET2	0.9340
270	HRZ	0.9340
271	4HS	0.9340
272	CFP	0.9339
273	HT4	0.9338
274	H42	0.9338
275	5B1	0.9337
276	WOT	0.9336
277	0MK	0.9335
278	284	0.9335
279	SMV	0.9333
280	IDH	0.9333
281	YH7	0.9332
282	QXW	0.9331
283	2ZV	0.9328
284	MZG	0.9328
285	4JJ	0.9328
286	5JC	0.9328
287	3AB	0.9323
288	HH5	0.9322
289	QWN	0.9322
290	MLA	0.9322
291	FAN	0.9321
292	6GU	0.9320
293	IGA	0.9319
294	HBD	0.9319
295	8GF	0.9318
296	G6D	0.9318
297	HVK	0.9314
298	ES5	0.9314
299	JZ2	0.9314
300	DX4	0.9309
301	AZG	0.9308
302	FUL	0.9308
303	IUR	0.9307
304	HBA	0.9307
305	5VM	0.9306
306	3FA	0.9305
307	HTS	0.9300
308	CLW	0.9299
309	FLM	0.9299
310	XQ0	0.9297
311	45C	0.9297
312	2C9	0.9295
313	IT2	0.9291
314	290	0.9291
315	280	0.9289
316	VGD	0.9286
317	LGA	0.9286
318	DMG	0.9286
319	4JN	0.9285
320	938	0.9282
321	JIF	0.9282
322	0CU	0.9282
323	OCH	0.9282
324	1XN	0.9279
325	1XM	0.9279
326	WCE	0.9275
327	1P8	0.9275
328	R8A	0.9273
329	FUC	0.9273
330	BOA	0.9269
331	23A	0.9267
332	BCP	0.9264
333	4XX	0.9263
334	BR9	0.9263
335	141	0.9263
336	H3M	0.9262
337	FE DB1	0.9261
338	1DQ	0.9260
339	5RG	0.9260
340	0R0	0.9258
341	Z82	0.9257
342	GXE	0.9257
343	PHB	0.9254
344	VAL	0.9245
345	FFP	0.9241
346	MWJ	0.9238
347	6X8	0.9238
348	MLI	0.9238
349	ADK	0.9237
350	F4Z	0.9234
351	TMZ	0.9234
352	BGC	0.9231
353	9CL	0.9230
354	GIO	0.9230
355	MAE	0.9227
356	7HQ	0.9226
357	C5J	0.9225
358	GRE	0.9224
359	YAN	0.9224
360	5NU	0.9224
361	6F0	0.9223
362	MRZ	0.9223
363	14J	0.9222
364	826	0.9219
365	F5B	0.9212
366	P72	0.9212
367	ES2	0.9211
368	KJH	0.9211
369	FLA	0.9211
370	BRT	0.9207
371	8H8	0.9206
372	CIG	0.9205
373	TC7	0.9204
374	HGQ	0.9199
375	PYJ	0.9199
376	3OC	0.9199
377	DFU	0.9197
378	GMN	0.9196
379	64K	0.9193
380	NVI	0.9193
381	PBZ	0.9193
382	DBH	0.9191
383	2KT	0.9190
384	SW7	0.9188
385	R8V	0.9188
386	1Y6	0.9182
387	DPR	0.9182
388	AZA	0.9180
389	5CU	0.9180
390	MLT	0.9180
391	A2Q	0.9179
392	4JO	0.9177
393	B24	0.9177
394	PRS	0.9170
395	TLD	0.9169
396	8CL	0.9168
397	IOL	0.9168
398	DUB	0.9162
399	ISZ	0.9159
400	I3A	0.9158
401	54D	0.9158
402	12Q	0.9158
403	FA0	0.9157
404	DOB	0.9157
405	4VP	0.9157
406	3WA	0.9155
407	4CS	0.9154
408	3M0	0.9154
409	JBK	0.9154
410	CEJ	0.9153
411	UY7	0.9152
412	BHA	0.9150
413	2MY	0.9149
414	GLC	0.9146
415	9TY	0.9145
416	NIZ	0.9145
417	MLM	0.9144
418	VNJ	0.9144
419	7W1	0.9142
420	TMT	0.9141
421	M3T	0.9140
422	GAB	0.9140
423	PAB	0.9140
424	3SK	0.9140
425	23W	0.9138
426	L60	0.9136
427	6MH	0.9135
428	4M0	0.9134
429	XXR	0.9133
430	NOJ	0.9131
431	5QX	0.9130
432	LMR	0.9130
433	FQI	0.9130
434	3HA	0.9130
435	GTQ	0.9129
436	DFB	0.9129
437	3F0	0.9127
438	JBQ	0.9126
439	286	0.9124
440	173	0.9124
441	FBA	0.9123
442	3NT	0.9120
443	TM4	0.9120
444	HEW	0.9120
445	1XX	0.9117
446	MB3	0.9116
447	HQT	0.9115
448	3CE	0.9115
449	KYD	0.9115
450	HYN	0.9113
451	YHO	0.9112
452	RAM	0.9110
453	B3R	0.9110
454	6M1	0.9109
455	ZZT	0.9107
456	HMU	0.9106
457	4MA	0.9105
458	24B	0.9104
459	HHA	0.9104
460	ARA	0.9103
461	3MA	0.9100
462	UGC	0.9099
463	ABE	0.9097
464	6CS	0.9094
465	FB2	0.9093
466	4H2	0.9092
467	TTO	0.9091
468	BZ3	0.9091
469	3HB	0.9089
470	P3K	0.9089
471	BVC	0.9088
472	FDB	0.9086
473	36R	0.9086
474	MRW	0.9084
475	SS2	0.9083
476	2D0	0.9083
477	2CM	0.9082
478	YTB	0.9081
479	7MH	0.9080
480	PCA	0.9080
481	EA1	0.9077
482	53C	0.9077
483	285	0.9076
484	KOJ	0.9076
485	HHN	0.9076
486	5M0	0.9074
487	AC6	0.9074
488	P2D	0.9074
489	7EX	0.9074
490	URP	0.9071
491	MMZ	0.9071
492	4JL	0.9069
493	CWS	0.9068
494	Y8I	0.9066
495	5MK	0.9066
496	6UA	0.9066
497	PXL	0.9064
498	3MH	0.9064
499	24T	0.9061
500	XQG	0.9060
501	3BZ	0.9060
502	RSO	0.9060
503	LDU	0.9060
504	SRT	0.9058
505	5OB	0.9058
506	32X	0.9058
507	54G	0.9057
508	ALO	0.9057
509	K2T	0.9057
510	MT0	0.9055
511	URQ	0.9054
512	TTL	0.9053
513	THR	0.9053
514	OVV	0.9051
515	717	0.9049
516	OK7	0.9048
517	CIZ	0.9047
518	HYP	0.9046
519	FBB	0.9046
520	JZ1	0.9045
521	174	0.9045
522	495	0.9045
523	M6N	0.9043
524	FEH	0.9040
525	3PF	0.9040
526	LT2	0.9040
527	MZW	0.9038
528	NSP	0.9037
529	1M2	0.9036
530	5JQ	0.9035
531	3XX	0.9034
532	HVQ	0.9034
533	MEW	0.9033
534	JFD	0.9033
535	NEQ	0.9032
536	URC	0.9031
537	XIX	0.9031
538	XIY	0.9031
539	INO	0.9030
540	4JT	0.9030
541	35C	0.9029
542	RHU	0.9029
543	Q24	0.9029
544	PZI	0.9028
545	SX1	0.9027
546	93B	0.9027
547	J9W	0.9025
548	39A	0.9025
549	2HQ	0.9025
550	KUF	0.9023
551	5QY	0.9023
552	KSW	0.9019
553	HIO	0.9018
554	HIU	0.9016
555	25T	0.9015
556	GLL	0.9014
557	PAF	0.9013
558	AZF	0.9013
559	2DR	0.9013
560	OXZ	0.9012
561	HHQ	0.9011
562	LZM	0.9011
563	B53	0.9011
564	NNO	0.9009
565	3AY	0.9007
566	C2B	0.9007
567	KG7	0.9006
568	C2A	0.9006
569	GYE	0.9005
570	DGY	0.9004
571	RM1	0.9004
572	5JL	0.9004
573	TLA	0.9003
574	XBT	0.9003
575	A7W	0.9002
576	OHG	0.9001
577	42A	0.9001
578	WDL	0.9001
579	K34	0.8998
580	F9P	0.8998
581	SYV	0.8997
582	BP9	0.8995
583	DHQ	0.8995
584	2HO	0.8994
585	DHB	0.8993
586	B55	0.8993
587	FBV	0.8993
588	BR8	0.8992
589	13X	0.8991
590	E60	0.8989
591	4NC	0.8988
592	DYA	0.8988
593	0P6	0.8988
594	KPL	0.8988
595	86J	0.8986
596	CTL	0.8985
597	SEJ	0.8985
598	4HC	0.8984
599	DTI	0.8984
600	FBM	0.8984
601	M5K	0.8979
602	3HM	0.8979
603	3PY	0.8979
604	IFM	0.8978
605	SWA	0.8976
606	PIH	0.8975
607	ITN	0.8975
608	0JD	0.8974
609	AX2	0.8973
610	4ZC	0.8972
611	9TZ	0.8972
612	5AN	0.8972
613	B57	0.8971
614	JA8	0.8969
615	H8N	0.8967
616	8TX	0.8965
617	QX2	0.8965
618	82I	0.8965
619	93K	0.8964
620	EXO	0.8964
621	6HQ	0.8962
622	G2F	0.8959
623	FB1	0.8956
624	8IG	0.8956
625	F81	0.8956
626	HGW	0.8955
627	AAE	0.8955
628	JLZ	0.8954
629	SE2	0.8954
630	278	0.8954
631	8CM	0.8947
632	QWW	0.8945
633	3Z7	0.8944
634	AQO	0.8943
635	S76	0.8942
636	KT7	0.8941
637	4JM	0.8941
638	3Z8	0.8941
639	G3E	0.8938
640	5WX	0.8935
641	TAR	0.8933
642	TPA	0.8933
643	AZ8	0.8932
644	1DH	0.8932
645	ORO	0.8931
646	1DV	0.8930
647	HSE	0.8929
648	GAL	0.8923
649	PKU	0.8922
650	ZBT	0.8922
651	CFI	0.8921
652	G5V	0.8921
653	DIN	0.8921
654	6RQ	0.8921
655	9TW	0.8918
656	FCA	0.8918
657	5XC	0.8916
658	DXX	0.8916
659	IFL	0.8915
660	SKA	0.8915
661	2A7	0.8914
662	0W8	0.8912
663	3RK	0.8912
664	4P5	0.8910
665	PEA	0.8909
666	SIN	0.8909
667	FUM	0.8909
668	GLA	0.8908
669	SOE	0.8905
670	BVG	0.8904
671	MR1	0.8902
672	INS	0.8902
673	SER	0.8901
674	FCR	0.8901
675	HZQ	0.8900
676	PE0	0.8900
677	9MG	0.8900
678	M4T	0.8898
679	F9Y	0.8897
680	HX3	0.8897
681	MXN	0.8897
682	PMB	0.8896
683	ASP	0.8895
684	5ZE	0.8894
685	RIB	0.8894
686	DSN	0.8894
687	XAZ	0.8892
688	M0W	0.8887
689	GOO	0.8887
690	PHU	0.8886
691	XX2	0.8884
692	O7U	0.8881
693	51R	0.8880
694	D48	0.8876
695	T6C	0.8871
696	R8S	0.8870
697	69O	0.8870
698	M2H	0.8870
699	EDG	0.8869
700	9X7	0.8869
701	AGK	0.8869
702	HY1	0.8868
703	51F	0.8868
704	5RN	0.8867
705	BNS	0.8865
706	IP0	0.8865
707	T2C	0.8862
708	DOR	0.8861
709	MYJ	0.8859
710	TEO	0.8857
711	P9P	0.8857
712	MQN	0.8857
713	DGJ	0.8856
714	J5I	0.8855
715	1P3	0.8853
716	FPK	0.8852
717	HSM	0.8851
718	ASN	0.8848
719	CXF	0.8847
720	LSA	0.8847
721	4YO	0.8847
722	GIF	0.8846
723	XUL	0.8846
724	47J	0.8845
725	FUF	0.8842
726	1LN	0.8842
727	PBE	0.8841
728	PEL	0.8841
729	TIU	0.8841
730	CRN	0.8840
731	3FH	0.8840
732	D1X	0.8836
733	2EC	0.8835
734	0TU	0.8835
735	HLZ	0.8834
736	FHB	0.8833
737	LCN	0.8833
738	ASO	0.8833
739	RMN	0.8832
740	R2B	0.8832
741	1AB	0.8831
742	TEP	0.8829
743	DAB	0.8829
744	4AA	0.8821
745	M0Q	0.8821
746	RP7	0.8818
747	7NI	0.8818
748	NOY	0.8817
749	KJU	0.8817
750	SHA	0.8816
751	4A3	0.8815
752	M1E	0.8811
753	QBK	0.8809
754	Z6J	0.8807
755	HJP	0.8807
756	M1Q	0.8805
757	MWP	0.8805
758	8WT	0.8801
759	MNM	0.8800
760	4JQ	0.8797
761	3DM	0.8795
762	FBJ	0.8794
763	Q6T	0.8793
764	ERH	0.8792
765	XCZ	0.8791
766	E7Z	0.8790
767	3IT	0.8787
768	3DO	0.8786
769	FCB	0.8784
770	IF7	0.8784
771	40E	0.8783
772	QSB	0.8780
773	HFB	0.8777
774	UNC	0.8773
775	BMA	0.8773
776	5GU	0.8772
777	AJ2	0.8770
778	DBX	0.8769
779	FBT	0.8768
780	7WG	0.8767
781	94N	0.8765
782	4AX	0.8763
783	CHB	0.8762
784	MUA	0.8758
785	CP	0.8757
786	YSO	0.8757
787	WOO	0.8757
788	TBP	0.8756
789	IQ0	0.8755
790	HX2	0.8755
791	PEP	0.8754
792	BTY	0.8754
793	CTS	0.8753
794	4FA	0.8751
795	SJ5	0.8750
796	HQD	0.8747
797	NDH	0.8747
798	M1H	0.8745
799	MO8	0.8741
800	TSU	0.8740
801	3MT	0.8739
802	EKZ	0.8736
803	MNN	0.8736
804	OXL	0.8735
805	2BG	0.8734
806	4HM	0.8734
807	ASC	0.8731
808	1DJ	0.8730
809	IV2	0.8729
810	7N0	0.8728
811	X6X	0.8728
812	BSX	0.8726
813	FBW	0.8726
814	MRY	0.8725
815	2LP	0.8724
816	2ZX	0.8723
817	ICF	0.8722
818	8OZ	0.8722
819	IPB	0.8721
820	ABA	0.8721
821	RB5	0.8720
822	AW5	0.8720
823	M6W	0.8719
824	CEE	0.8718
825	3SL	0.8715
826	AFR	0.8713
827	SAN	0.8713
828	DIU	0.8712
829	K5W	0.8712
830	PAC	0.8711
831	FP1	0.8710
832	GDE	0.8710
833	JZ7	0.8709
834	AAS	0.8709
835	2XX	0.8708
836	192	0.8707
837	AKH	0.8705
838	2AL	0.8705
839	XRG	0.8704
840	4Z4	0.8703
841	OXC	0.8703
842	JUG	0.8702
843	DRL	0.8701
844	KJY	0.8700
845	LGC	0.8698
846	J9T	0.8695
847	NXA	0.8695
848	ALL	0.8695
849	COI	0.8691
850	AZ9	0.8691
851	260	0.8691
852	261	0.8689
853	2A9	0.8689
854	BAE	0.8688
855	MFB	0.8686
856	DQN	0.8685
857	PYQ	0.8684
858	BCF	0.8682
859	37T	0.8682
860	7VS	0.8681
861	IHB	0.8680
862	IMR	0.8679
863	EYK	0.8676
864	NTM	0.8671
865	75K	0.8671
866	A13	0.8670
867	KBG	0.8669
868	FOT	0.8666
869	LER	0.8665
870	NDM	0.8662
871	C2U	0.8660
872	H76	0.8659
873	SAT	0.8656
874	HDH	0.8651
875	OXD	0.8650
876	PYR	0.8649
877	2AI	0.8646
878	DMJ	0.8644
879	2AK	0.8643
880	FUB	0.8642
881	4WL	0.8639
882	B60	0.8639
883	OTW	0.8639
884	PHT	0.8639
885	G1O	0.8638
886	DMI	0.8638
887	1MZ	0.8637
888	HOW	0.8636
889	4MZ	0.8635
890	JXN	0.8634
891	0FO	0.8633
892	3V4	0.8633
893	PBA	0.8633
894	2MZ	0.8632
895	ZZ3	0.8632
896	0N7	0.8632
897	F3B	0.8632
898	YRL	0.8631
899	N2I	0.8629
900	M2K	0.8629
901	RUU	0.8626
902	NQ	0.8625
903	HDA	0.8622
904	AMT	0.8621
905	IJZ	0.8620
906	TBS	0.8614
907	HCS	0.8612
908	K17	0.8610
909	AEF	0.8609
910	E5X	0.8607
911	F0J	0.8606
912	SPV	0.8605
913	TCZ	0.8600
914	BBF	0.8599
915	VK3	0.8598
916	329	0.8597
917	PFB	0.8596
918	ATQ	0.8594
919	AKB	0.8592
920	4J8	0.8592
921	PZM	0.8589
922	SHG	0.8588
923	FBS	0.8586
924	CGB	0.8583
925	ICO	0.8582
926	B62	0.8582
927	32O	0.8577
928	34D	0.8575
929	PYM	0.8572
930	ANN	0.8572
931	MR3	0.8567
932	42C	0.8566
933	7VJ	0.8563
934	97T	0.8562
935	4FH	0.8561
936	K8X	0.8557
937	SVD	0.8554
938	OVM	0.8549
939	0HO	0.8549
940	DBB	0.8547
941	SNE	0.8546
942	8K2	0.8542
943	259	0.8531
944	9FL	0.8527
945	IBF	0.8518
946	QX4	0.8513

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

APoc FAQ