• Home
• Faq
• Browse
• Search
• Download
• Contact Us

Help?

Showing PDB: 3LKA

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
3LKA	1.8 Å	EC: 3.4.24.65	CATALYTIC DOMAIN OF HUMAN MMP-12 COMPLEXED WITH HYDROXAMIC A PARAMETHOXY-SULFONYL AMIDE	HOMO SAPIENS	MATRIX METALLOPROTEINASE MMP12 ELASTASE COMPLEX (ELASTASEINHIBITOR) METALLO ELASTASE EXTRACELLULAR MATRIX GLYCOPRHYDROLASE METAL-BINDING METALLOPROTEASE
Ref.:	ENTROPIC CONTRIBUTION TO THE LINKING COEFFICIENT IN BASED DRUG DESIGN: A CASE STUDY. J.MED.CHEM. V. 53 4285 2010

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
CA	A:266; A:267; A:268;	Part of Protein; Part of Protein; Part of Protein;	none; none; none;	submit data		40.078	Ca	[Ca+2...
HAE	A:269;	Valid;	none;	submit data		75.067	C2 H5 N O2	CC(=O...
M4S	A:1;	Valid;	none;	Kd = 1.5 mM		187.216	C7 H9 N O3 S	COc1c...
ZN	A:264; A:265;	Part of Protein; Part of Protein;	none; none;	submit data		65.409	Zn	[Zn+2...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
4GQL	1.15 Å	EC: 3.4.24.65	CRYSTAL STRUCTURE OF THE CATALYTIC DOMAIN OF HUMAN MMP12 IN WITH SELECTIVE PHOSPHINIC INHIBITOR RXP470.1	HOMO SAPIENS	POTENT SELECTIVE PHOSPHINIC INHIBITOR METZINCIN ZINC PROTEHYDROLASE-HYDROLASE INHIBITOR COMPLEX
Ref.:	MOLECULAR DETERMINANTS OF A SELECTIVE MATRIX METALLOPROTEASE-12 INHIBITOR: INSIGHTS FROM CRYSTAL AND THERMODYNAMIC STUDIES. J.MED.CHEM. V. 56 1149 2013

Members (58)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	5I4O	-	V28	C28 H35 N5 O9 S	CC(C)[C@H]....
2	4GQL	Ki = 0.26 nM	R47	C35 H35 Br Cl N4 O10 P	c1cc(cc(c1....
3	1UTT	ic50 = 24 uM	CP8	C19 H20 N2 O4 S	C[N@@]1c2c....
4	5I0L	ic50 = 18 nM	H27	C34 H42 N4 O12 S2	CC(C)[C@H]....
5	4EFS	Ki = 2.5 nM	E37	C22 H20 N2 O4 S	c1ccc(cc1)....
6	4GR3	Ki = 15.5 nM	R45	C29 H32 Br N4 O10 P	c1ccc(cc1)....
7	5CZM	-	R47	C35 H35 Br Cl N4 O10 P	c1cc(cc(c1....
8	6RLY	Ki = 17.5 uM	K8T	C21 H20 N2 O3	c1ccc(cc1)....
9	1Y93	Kd = 8 mM	HAE	C2 H5 N O2	CC(=O)NO
10	6RD0	Ki = 17.7 uM	K0Q	C17 H17 N3 O3	c1ccc2c(c1....
11	3TSK	-	QEG	C29 H32 N4 O6 S	c1ccc(cc1)....
12	2W0D	ic50 ~ 2 nM	CGS	C18 H23 N3 O5 S	CC(C)[C@H]....
13	3F16	Kd = 5.91 nM	HS3	C10 H12 N2 O6 S	COc1ccc(cc....
14	5D3C	-	56O	C30 H32 Cl N5 O10	c1cc(cc(c1....
15	3NX7	Kd = 7.88 nM	NHK	C11 H16 N2 O6 S	COc1ccc(cc....
16	3N2U	-	D3X	C17 H26 N2 O11 S	COc1ccc(cc....
17	2OXW	-	ILE ALA GLY	n/a	n/a
18	3EHY	Ki = 1.4 uM	TBL	C10 H13 N O5 S	C[C@H](C(=....
19	1UTZ	ic50 = 0.014 uM	PF3	C25 H20 N2 O3 S	c1ccc(cc1)....
20	3LKA	Kd = 1.5 mM	M4S	C7 H9 N O3 S	COc1ccc(cc....
21	3F19	Kd = 65.1 nM	HS6	C8 H7 F N2 O4 S	c1cc(ccc1F....
22	5L7F	Ki = 0.9 nM	R47 6PJ	n/a	n/a
23	6ENM	-	LPW	C21 H19 N O5 S	COc1ccc(cc....
24	3EHX	Ki = 25 nM	BDL	C18 H21 N O4 S	CC(C)C[C@H....
25	6EOX	-	BKW	C21 H18 O5 S	COc1ccc(cc....
26	2HU6	Kd = 154 uM	37A	C20 H21 N3 O5	c1ccc(cc1)....
27	3N2V	-	JT5	C16 H18 N2 O5 S	c1ccc(cc1)....
28	3F18	Kd = 39.5 nM	HS5	C10 H11 F N2 O5 S	c1cc(ccc1F....
29	4GR8	Ki = 14.7 nM	R4C	C25 H28 Br N4 O6 P	C[C@@H](C(....
30	3F15	Kd = 7.88 nM	HS1	C12 H16 N2 O7 S	COc1ccc(cc....
31	6ELA	-	B9Z	C24 H22 O5 S	COc1ccc(cc....
32	5N5J	-	HAE	C2 H5 N O2	CC(=O)NO
33	2OXZ	-	ILE ALA GLY	n/a	n/a
34	3LIK	Ki = 1.92 nM	EEG	C29 H31 N3 O7 S	c1ccc(cc1)....
35	5I43	-	67M	C37 H47 N5 O13 S	CC(C)[C@H]....
36	3F17	Kd = 2.36 nM	HS4	C14 H14 N2 O4 S	c1ccc(cc1)....
37	6EKN	-	B9N	C24 H22 O7 S	COc1ccc(cc....
38	5D2B	-	56O	C30 H32 Cl N5 O10	c1cc(cc(c1....
39	2WO8	ic50 = 0.52 uM	077	C17 H18 O3	c1ccc(cc1)....
40	1OS2	-	HAE	C2 H5 N O2	CC(=O)NO
41	4GR0	Ki = 0.28 nM	R4B	C31 H31 Br Cl N4 O6 P	C[C@@H](C(....
42	2WOA	ic50 = 1.15 uM	576	C18 H18 O3	c1ccc-2c(c....
43	3LK8	Kd = 19.7 nM	Z79	C9 H12 N2 O5 S	COc1ccc(cc....
44	5L79	Ki = 0.9 nM	R47 6PJ	n/a	n/a
45	3F1A	Kd = 61.1 nM	HS7	C8 H8 N2 O4 S	c1ccc(cc1)....
46	5N5K	-	HAE	C2 H5 N O2	CC(=O)NO
47	2WO9	ic50 = 0.062 uM	068	C19 H20 O4	CC(=O)c1cc....
48	3LJG	Ki = 18.6 nM	EEF	C25 H29 N3 O7	c1ccc(cc1)....
49	5I3M	-	67F	C28 H38 N4 O9 S2	CC(C)[C@@H....
50	1RMZ	-	NGH	C13 H20 N2 O5 S	CC(C)C[N@]....
51	3LIL	Ki = 8.3 nM	EEA	C28 H29 Cl N4 O8	c1cc(cc(c1....
52	4I03	-	L88	C58 H66 N4 O11 S2	c1ccc(cc1)....
53	1ROS	ic50 = 0.0017 uM	DEO	C28 H25 N O6	CCOc1ccc(c....
54	5CXA	-	55L	C30 H31 Cl N4 O10	c1cc(cc(c1....
55	5I2Z	-	V24	C34 H41 N5 O12 S	CC(C)[C@H]....
56	1JK3	-	BAT	C23 H31 N3 O4 S2	CC(C)C[C@H....
57	3LIR	Ki = 119 nM	EEC	C22 H26 N4 O8	c1ccc(cc1)....
58	3TS4	Ki = 1.9 nM	EEG	C29 H31 N3 O7 S	c1ccc(cc1)....

70% Homology Family (21)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	5I4O	-	V28	C28 H35 N5 O9 S	CC(C)[C@H]....
2	4GQL	Ki = 0.26 nM	R47	C35 H35 Br Cl N4 O10 P	c1cc(cc(c1....
3	1UTT	ic50 = 24 uM	CP8	C19 H20 N2 O4 S	C[N@@]1c2c....
4	5I0L	ic50 = 18 nM	H27	C34 H42 N4 O12 S2	CC(C)[C@H]....
5	4EFS	Ki = 2.5 nM	E37	C22 H20 N2 O4 S	c1ccc(cc1)....
6	4GR3	Ki = 15.5 nM	R45	C29 H32 Br N4 O10 P	c1ccc(cc1)....
7	5CZM	-	R47	C35 H35 Br Cl N4 O10 P	c1cc(cc(c1....
8	6RLY	Ki = 17.5 uM	K8T	C21 H20 N2 O3	c1ccc(cc1)....
9	1Y93	Kd = 8 mM	HAE	C2 H5 N O2	CC(=O)NO
10	6RD0	Ki = 17.7 uM	K0Q	C17 H17 N3 O3	c1ccc2c(c1....
11	3TSK	-	QEG	C29 H32 N4 O6 S	c1ccc(cc1)....
12	2W0D	ic50 ~ 2 nM	CGS	C18 H23 N3 O5 S	CC(C)[C@H]....
13	3F16	Kd = 5.91 nM	HS3	C10 H12 N2 O6 S	COc1ccc(cc....
14	5D3C	-	56O	C30 H32 Cl N5 O10	c1cc(cc(c1....
15	3NX7	Kd = 7.88 nM	NHK	C11 H16 N2 O6 S	COc1ccc(cc....
16	3N2U	-	D3X	C17 H26 N2 O11 S	COc1ccc(cc....
17	2OXW	-	ILE ALA GLY	n/a	n/a
18	3EHY	Ki = 1.4 uM	TBL	C10 H13 N O5 S	C[C@H](C(=....
19	1UTZ	ic50 = 0.014 uM	PF3	C25 H20 N2 O3 S	c1ccc(cc1)....
20	3LKA	Kd = 1.5 mM	M4S	C7 H9 N O3 S	COc1ccc(cc....
21	3F19	Kd = 65.1 nM	HS6	C8 H7 F N2 O4 S	c1cc(ccc1F....

50% Homology Family (165)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	2XS4	-	ALA PHE THR	n/a	n/a
2	4IN9	Ki = 10.7 uM	SER TRP PHE PRO	n/a	n/a
3	2XS3	-	ALA PHE THR SER	n/a	n/a
4	1D8M	-	BBH	C19 H21 N3 O6 S	COc1ccc(cc....
5	1BIW	ic50 = 104 nM	S80	C20 H37 N3 O6	CC(C)C[C@H....
6	4DPE	-	NGH	C13 H20 N2 O5 S	CC(C)C[N@]....
7	2D1O	Ki = 0.02 uM	FA4	C24 H42 N6 O3	[H]/N=C(/N....
8	1HY7	ic50 = 4090 nM	MBS	C20 H21 N O6 S	COCC#CC[C@....
9	1BQO	ic50 = 18.4 nM	N25	C21 H27 N3 O8 S2	CC1(C[N@](....
10	2USN	Ki = 0.31 uM	IN8	C19 H18 N4 O3 S2	c1ccc(cc1)....
11	1B3D	-	S27	C20 H27 N2 O3 P	CC(C)C[C@H....
12	1CIZ	Ki = 36 nM	DPS	C28 H29 N3 O4 S	c1ccc(cc1)....
13	1D8F	ic50 = 18 nM	SPI	C20 H23 N3 O7 S	COc1ccc(cc....
14	1HFS	Ki = 2 nM	L04	C43 H48 F N3 O5	CC(C)C[C@@....
15	1D7X	-	SPC	C13 H19 N3 O6 S	COc1ccc(cc....
16	1G05	ic50 = 3.1 nM	BBH	C19 H21 N3 O6 S	COc1ccc(cc....
17	1B8Y	Ki = 14 nM	IN7	C19 H22 N2 O4 S	c1ccc(cc1)....
18	1CAQ	Ki = 19 nM	DPS	C28 H29 N3 O4 S	c1ccc(cc1)....
19	1G4K	-	HQQ	C17 H14 N2 O4	CC1(C(=O)N....
20	4JA1	-	NGH	C13 H20 N2 O5 S	CC(C)C[N@]....
21	1G49	ic50 = 16 nM	111	C16 H25 N3 O7 S2	CCCCOc1ccc....
22	1SLN	Ki = 0.23 uM	INH	C25 H35 N6 O4	C[C@H](C(=....
23	1C3I	-	TR1	C24 H31 N3 O4 S	CC(C)[C@@H....
24	1USN	Ki = 0.018 uM	IN9	C13 H10 F5 N5 O2 S2	CNC(=O)[C@....
25	4G9L	-	NGH	C13 H20 N2 O5 S	CC(C)C[N@]....
26	3AYU	-	ILE SER TYR GLY ASN ASP ALA LEU MET PRO	n/a	n/a
27	5I4O	-	V28	C28 H35 N5 O9 S	CC(C)[C@H]....
28	4GQL	Ki = 0.26 nM	R47	C35 H35 Br Cl N4 O10 P	c1cc(cc(c1....
29	1UTT	ic50 = 24 uM	CP8	C19 H20 N2 O4 S	C[N@@]1c2c....
30	5I0L	ic50 = 18 nM	H27	C34 H42 N4 O12 S2	CC(C)[C@H]....
31	4EFS	Ki = 2.5 nM	E37	C22 H20 N2 O4 S	c1ccc(cc1)....
32	4GR3	Ki = 15.5 nM	R45	C29 H32 Br N4 O10 P	c1ccc(cc1)....
33	5CZM	-	R47	C35 H35 Br Cl N4 O10 P	c1cc(cc(c1....
34	6RLY	Ki = 17.5 uM	K8T	C21 H20 N2 O3	c1ccc(cc1)....
35	1Y93	Kd = 8 mM	HAE	C2 H5 N O2	CC(=O)NO
36	6RD0	Ki = 17.7 uM	K0Q	C17 H17 N3 O3	c1ccc2c(c1....
37	3TSK	-	QEG	C29 H32 N4 O6 S	c1ccc(cc1)....
38	2W0D	ic50 ~ 2 nM	CGS	C18 H23 N3 O5 S	CC(C)[C@H]....
39	3F16	Kd = 5.91 nM	HS3	C10 H12 N2 O6 S	COc1ccc(cc....
40	5D3C	-	56O	C30 H32 Cl N5 O10	c1cc(cc(c1....
41	3NX7	Kd = 7.88 nM	NHK	C11 H16 N2 O6 S	COc1ccc(cc....
42	3N2U	-	D3X	C17 H26 N2 O11 S	COc1ccc(cc....
43	2OXW	-	ILE ALA GLY	n/a	n/a
44	3EHY	Ki = 1.4 uM	TBL	C10 H13 N O5 S	C[C@H](C(=....
45	1UTZ	ic50 = 0.014 uM	PF3	C25 H20 N2 O3 S	c1ccc(cc1)....
46	3LKA	Kd = 1.5 mM	M4S	C7 H9 N O3 S	COc1ccc(cc....
47	3F19	Kd = 65.1 nM	HS6	C8 H7 F N2 O4 S	c1cc(ccc1F....
48	5L7F	Ki = 0.9 nM	R47 6PJ	n/a	n/a
49	6ENM	-	LPW	C21 H19 N O5 S	COc1ccc(cc....
50	3EHX	Ki = 25 nM	BDL	C18 H21 N O4 S	CC(C)C[C@H....
51	6EOX	-	BKW	C21 H18 O5 S	COc1ccc(cc....
52	2HU6	Kd = 154 uM	37A	C20 H21 N3 O5	c1ccc(cc1)....
53	3N2V	-	JT5	C16 H18 N2 O5 S	c1ccc(cc1)....
54	3F18	Kd = 39.5 nM	HS5	C10 H11 F N2 O5 S	c1cc(ccc1F....
55	4GR8	Ki = 14.7 nM	R4C	C25 H28 Br N4 O6 P	C[C@@H](C(....
56	3F15	Kd = 7.88 nM	HS1	C12 H16 N2 O7 S	COc1ccc(cc....
57	6ELA	-	B9Z	C24 H22 O5 S	COc1ccc(cc....
58	5N5J	-	HAE	C2 H5 N O2	CC(=O)NO
59	2OXZ	-	ILE ALA GLY	n/a	n/a
60	3LIK	Ki = 1.92 nM	EEG	C29 H31 N3 O7 S	c1ccc(cc1)....
61	5I43	-	67M	C37 H47 N5 O13 S	CC(C)[C@H]....
62	3F17	Kd = 2.36 nM	HS4	C14 H14 N2 O4 S	c1ccc(cc1)....
63	6EKN	-	B9N	C24 H22 O7 S	COc1ccc(cc....
64	5D2B	-	56O	C30 H32 Cl N5 O10	c1cc(cc(c1....
65	2WO8	ic50 = 0.52 uM	077	C17 H18 O3	c1ccc(cc1)....
66	1OS2	-	HAE	C2 H5 N O2	CC(=O)NO
67	4GR0	Ki = 0.28 nM	R4B	C31 H31 Br Cl N4 O6 P	C[C@@H](C(....
68	2WOA	ic50 = 1.15 uM	576	C18 H18 O3	c1ccc-2c(c....
69	3LK8	Kd = 19.7 nM	Z79	C9 H12 N2 O5 S	COc1ccc(cc....
70	5L79	Ki = 0.9 nM	R47 6PJ	n/a	n/a
71	3F1A	Kd = 61.1 nM	HS7	C8 H8 N2 O4 S	c1ccc(cc1)....
72	5N5K	-	HAE	C2 H5 N O2	CC(=O)NO
73	2WO9	ic50 = 0.062 uM	068	C19 H20 O4	CC(=O)c1cc....
74	3LJG	Ki = 18.6 nM	EEF	C25 H29 N3 O7	c1ccc(cc1)....
75	5I3M	-	67F	C28 H38 N4 O9 S2	CC(C)[C@@H....
76	1RMZ	-	NGH	C13 H20 N2 O5 S	CC(C)C[N@]....
77	3LIL	Ki = 8.3 nM	EEA	C28 H29 Cl N4 O8	c1cc(cc(c1....
78	4I03	-	L88	C58 H66 N4 O11 S2	c1ccc(cc1)....
79	1ROS	ic50 = 0.0017 uM	DEO	C28 H25 N O6	CCOc1ccc(c....
80	5CXA	-	55L	C30 H31 Cl N4 O10	c1cc(cc(c1....
81	5I2Z	-	V24	C34 H41 N5 O12 S	CC(C)[C@H]....
82	1JK3	-	BAT	C23 H31 N3 O4 S2	CC(C)C[C@H....
83	3LIR	Ki = 119 nM	EEC	C22 H26 N4 O8	c1ccc(cc1)....
84	3TS4	Ki = 1.9 nM	EEG	C29 H31 N3 O7 S	c1ccc(cc1)....
85	3KEJ	Ki = 75.9 nM	3EJ	C22 H17 F N6 O3	c1cc(cc(c1....
86	4L19	Ki = 0.8 uM	1UA	C15 H16 N2 O S	Cc1ccc(cc1....
87	5BOT	ic50 = 39 uM	4UM	C12 H12 N2 O3	CCOC(=O)c1....
88	3KRY	ic50 = 0.1 nM	3KR	C22 H23 F3 N2 O7 S	COCCN1CCC(....
89	1XUD	ic50 = 8 nM	PB4	C22 H20 F2 N4 O2	Cc1cc(ccc1....
90	3I7I	ic50 = 620 nM	518	C29 H29 N3 O5	CNC(=O)[C@....
91	3WV1	ic50 = 0.0039 nM	WHH	C26 H22 F N3 O6	COc1cccc(c....
92	5BPA	ic50 = 0.001 uM	4UF	C24 H22 N4 O5	CCOC(=O)c1....
93	4JPA	ic50 = 3.3 nM	AZ6	C21 H23 N7 O5 S	C[C@]1(C(=....
94	5B5O	ic50 = 1900 nM	WMM	C12 H11 N5 S2	c1ccc(cc1)....
95	2OW9	ic50 = 30 nM	SP6	C21 H16 N2 O4 S	c1ccc(cc1)....
96	3ELM	Ki = 0.19 nM	24F	C23 H30 N2 O7 S2	CCOc1ccc(c....
97	1CXV	-	CBP	C19 H20 Cl N O6 S	c1cc(ccc1O....
98	4A7B	-	3W5	C27 H30 N2 O5 S	c1cc(ccc1C....
99	3WV2	ic50 = 12 nM	WGG	C17 H15 N3 O3	COc1cccc(c....
100	4JP4	-	AZ4	C19 H23 F4 N7 O5 S	c1c(cnc(n1....
101	2OZR	ic50 = 0.67 nM	GG1	C26 H20 N2 O4	CN1c2ccc(c....
102	5UWK	Ki = 2.3 nM	8OM	C25 H27 N3 O5 S2	CC(C)[C@@H....
103	1YOU	ic50 = 0.87 nM	PFD	C20 H19 F N2 O6	CCOCCC1(C(....
104	830C	Ki = 0.52 nM	RS1	C19 H20 Cl N O6 S	c1cc(ccc1O....
105	5BOY	ic50 = 2.5 uM	4UE	C15 H15 N3 O2	CCOC(=O)c1....
106	3I7G	ic50 = 430 nM	732	C20 H23 Cl N2 O3	CNC(=O)[C@....
107	1XUC	ic50 = 72 nM	PB3	C22 H22 N4 O2	Cc1cccc(c1....
108	1ZTQ	ic50 = 1.3 nM	033	C26 H24 N2 O6 S	CC(C)[C@@H....
109	456C	Ki = 0.17 nM	CBP	C19 H20 Cl N O6 S	c1cc(ccc1O....
110	1XUR	ic50 = 6600 nM	PB5	C18 H16 N6 O2	c1cc(cnc1)....
111	2D1N	Ki = 0.007 uM	FA4	C24 H42 N6 O3	[H]/N=C(/N....
112	3KEC	ic50 = 58 nM	3KE	C24 H21 N5 O4	COc1ccc(cc....
113	5UWM	ic50 = 356 nM	8OA	C25 H28 N4 O4 S	CC(C)[C@H]....
114	3TVC	Ki = 18 nM	E3P	C26 H26 N2 O4	c1ccc(cc1)....
115	3ZXH	-	E41	C20 H28 N2 O4 S	CC(C)CCN([....
116	3KEK	Ki = 4.4 nM	3EK	C24 H26 F N5 O3	Cc1cc(cc(n....
117	3WV3	ic50 = 24 nM	WLL	C15 H13 N3 O3 S	COc1cccc(c....
118	2YIG	ic50 = 79.4 nM	5EL	C28 H27 N3 O3	c1cc(ccc1C....
119	5B5P	ic50 = 0.2 nM	WNN	C20 H18 N6 O3 S	c1ccc2c(c1....
120	3LJZ	Ki = 7.3 nM	LA3	C27 H26 N2 O6	c1ccc2c(c1....
121	6HV2	-	ILE MET ILE SER PHE	n/a	n/a
122	1MNC	-	PLH	C18 H27 N3 O4	CC(C)C[C@H....
123	3DPE	ic50 = 57 nM	AXB	C24 H21 N5 O6 S2	c1cc2c(cc1....
124	1I76	-	BSI	C22 H19 N O4 S	c1ccc(cc1)....
125	1ZP5	ic50 = 1200 uM	2NI	C17 H17 N3 O3	CN(CCOc1cc....
126	1JAP	-	PRO LEU GLY HOA	n/a	n/a
127	2OY2	-	ILE ALA GLY	n/a	n/a
128	1I73	-	PRO LEU PAT	n/a	n/a
129	3DNG	ic50 = 7.4 nM	AXA	C22 H21 N5 O5 S	c1cc2c(cc1....
130	1JAO	Ki = 1.2 uM	0D3	C15 H21 N3 O3 S	NULL
131	1ZS0	Ki = 0.7 uM	EIN	C17 H22 N O6 P S	CC(C)[C@@H....
132	1BZS	ic50 = 10 nM	BSI	C22 H19 N O4 S	c1ccc(cc1)....
133	1JAQ	Ki = 33 uM	01S	C12 H22 N4 O5	NULL
134	1KBC	-	HLE RIN	n/a	n/a
135	1JAN	-	PRO LEU GLY HOA	n/a	n/a
136	5H8X	ic50 = 3.1 uM	7FY	C18 H15 N O4 S	c1ccc(cc1)....
137	1MMB	-	BAT	C23 H31 N3 O4 S2	CC(C)C[C@H....
138	3DPF	-	AXB	C24 H21 N5 O6 S2	c1cc2c(cc1....
139	1JJ9	ic50 = 1700 nM	BBT	C17 H21 N3 O4	c1ccc(cc1)....
140	1ZVX	Ki = 0.6 nM	FIN	C17 H22 N O6 P S	CC(C)[C@H]....
141	3TT4	Ki = 5.3 nM	E1S	C19 H22 N2 O4 S	Cc1ccc(s1)....
142	1MMQ	Ki = 0.03 uM	RRS	C25 H36 N4 O4	CC(C)C[C@H....
143	2Y6C	ic50 = 0.0001 M	TQI	C18 H14 Cl F3 N2 O4 S	c1ccc2c(c1....
144	1MMP	Ki = 0.85 uM	RSS	C25 H35 N3 O4	CC(C)C[C@H....
145	1MMR	Ki = 4 uM	SRS	C25 H39 N5 O2 S	CC(C)C[C@H....
146	4JQG	-	8MC PRO LEU GLY PFF DNW ALA ARG NH2	n/a	n/a
147	1GKC	-	NFH	C15 H29 N3 O4	CC(C)C[C@H....
148	5I12	ic50 = 1200 nM	H27	C34 H42 N4 O12 S2	CC(C)[C@H]....
149	1GKD	-	STN BUM	n/a	n/a
150	2OW0	-	6MR	C23 H19 I N2 O4 S	c1ccc2c(c1....
151	4WZV	ic50 = 0.43 nM	E40	C28 H29 N3 O8 S	CC(C)ON([C....
152	2OVX	-	4MR	C24 H22 N6 O4	c1ccc(cc1)....
153	6ESM	-	B9Z	C24 H22 O5 S	COc1ccc(cc....
154	4JIJ	-	8MC PRO LEU GLY PHI DNW ALA ARG NH2	n/a	n/a
155	4XCT	ic50 = 6.7 nM	N73	C20 H24 N2 O5 S	CC(C)[C@H]....
156	2OW1	-	7MR	C16 H15 F3 N2 O5 S	c1ccc(cc1)....
157	2OVZ	-	5MR	C30 H29 N4 O5 P	c1ccc(cc1)....
158	1CGL	Ki = 135 nM	0ED	C33 H47 N5 O7	NULL
159	966C	Ki = 23 nM	RS2	C19 H21 N O6 S	c1ccc(cc1)....
160	2TCL	ic50 = 9 nM	RO4	C19 H35 N3 O6	CCOC(=O)[C....
161	1HFC	-	PLH	C18 H27 N3 O4	CC(C)C[C@H....
162	5UE4	Kd = 3.3 uM	5XQ	C16 H16 N4 O2 S2	Cc1c(sc(n1....
163	1RM8	-	BAT	C23 H31 N3 O4 S2	CC(C)C[C@H....
164	1Q3A	-	NGH	C13 H20 N2 O5 S	CC(C)C[N@]....
165	5H0U	-	HIS HIS HIS HIS HIS HIS	n/a	n/a

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: HAE; Similar ligands found: 2

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	HAE	1	1
2	NHY	0.466667	0.633333

Ligand no: 2; Ligand: M4S; Similar ligands found: 14

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	M4S	1	1
2	3W8	0.545455	0.893617
3	3W6	0.5	0.84
4	3W3	0.486486	0.854167
5	G8F	0.485714	1
6	SAN	0.482759	0.729167
7	4J8	0.466667	0.837209
8	QTD	0.459459	0.911111
9	3O5	0.425	0.694915
10	4JC	0.424242	0.8
11	FBS	0.419355	0.744681
12	Q6A	0.403846	0.716667
13	L8N	0.4	0.82
14	BC5	0.4	0.686275

Similar Ligands (3D)

Ligand no: 1; Ligand: HAE; Similar ligands found: 237

No:	Ligand	Similarity coefficient
1	NMU	1.0000
2	ALA	1.0000
3	F3V	1.0000
4	2A3	1.0000
5	J3K	1.0000
6	2A1	1.0000
7	61G	1.0000
8	FAH	1.0000
9	GOA	1.0000
10	GLY	1.0000
11	PPI	1.0000
12	MGX	1.0000
13	TSZ	1.0000
14	AGU	1.0000
15	AKR	1.0000
16	F50	1.0000
17	GLV	1.0000
18	NIE	1.0000
19	HVB	0.9964
20	ATO	0.9886
21	R3W	0.9860
22	BRP	0.9856
23	1BP	0.9839
24	CP2	0.9835
25	TCV	0.9819
26	GOL	0.9776
27	BXA	0.9746
28	GXV	0.9711
29	OXL	0.9691
30	3GR	0.9690
31	MEU	0.9664
32	LAC	0.9650
33	OXM	0.9648
34	HGY	0.9630
35	MMU	0.9615
36	BU4	0.9594
37	2HA	0.9592
38	DAL	0.9592
39	PYR	0.9589
40	GBL	0.9587
41	3MT	0.9583
42	ACT	0.9580
43	PXO	0.9578
44	1CB	0.9576
45	OXD	0.9575
46	NIS	0.9575
47	6SP	0.9570
48	3OH	0.9563
49	AOA	0.9563
50	HBS	0.9557
51	HBR	0.9545
52	MZY	0.9544
53	BAQ	0.9539
54	CYS	0.9537
55	2OP	0.9528
56	ABA	0.9524
57	PYM	0.9515
58	ATQ	0.9507
59	BUO	0.9501
60	ACM	0.9497
61	3TR	0.9497
62	AMT	0.9497
63	HOW	0.9484
64	ALQ	0.9481
65	4MZ	0.9479
66	1MZ	0.9479
67	BUA	0.9478
68	2AI	0.9474
69	2MZ	0.9473
70	SEY	0.9471
71	MR3	0.9468
72	AXO	0.9468
73	5Y9	0.9462
74	NAK	0.9459
75	5MP	0.9456
76	CRD	0.9448
77	SAR	0.9445
78	5KX	0.9442
79	JZ6	0.9433
80	BAL	0.9427
81	AF3	0.9415
82	9A4	0.9414
83	EGD	0.9413
84	BMD	0.9407
85	ETF	0.9392
86	D2P	0.9392
87	BEF	0.9389
88	3ZS	0.9385
89	BYZ	0.9369
90	EDO	0.9366
91	13D	0.9362
92	TRI	0.9359
93	IPA	0.9356
94	3CL	0.9346
95	PZO	0.9342
96	ALF	0.9341
97	2PO	0.9341
98	78T	0.9341
99	ES3	0.9339
100	IMD	0.9327
101	HUH	0.9320
102	NOE	0.9310
103	OSM	0.9294
104	VSO	0.9289
105	PYZ	0.9289
106	3BB	0.9271
107	KCS	0.9264
108	TF4	0.9260
109	9A7	0.9253
110	2KT	0.9247
111	BRJ	0.9244
112	XAP	0.9230
113	XIX	0.9222
114	HYN	0.9212
115	HSW	0.9208
116	FW5	0.9200
117	BBU	0.9183
118	TAN	0.9182
119	THR	0.9178
120	MTG	0.9167
121	MB3	0.9162
122	SER	0.9155
123	SLP	0.9155
124	25T	0.9148
125	24T	0.9147
126	03W	0.9141
127	DGY	0.9141
128	8FH	0.9138
129	DSN	0.9135
130	DE2	0.9133
131	HIU	0.9130
132	DCE	0.9129
133	HUI	0.9125
134	3PY	0.9123
135	2RA	0.9120
136	CNH	0.9113
137	DXX	0.9107
138	P1R	0.9107
139	SMB	0.9107
140	DBB	0.9105
141	A3B	0.9105
142	KG7	0.9105
143	A2Q	0.9097
144	0PY	0.9095
145	B20	0.9092
146	BUB	0.9092
147	CEJ	0.9088
148	TB0	0.9081
149	MMZ	0.9076
150	BNZ	0.9068
151	E60	0.9064
152	QPT	0.9061
153	MZ0	0.9053
154	1AC	0.9052
155	CYH	0.9052
156	CXL	0.9052
157	3BR	0.9044
158	HAI	0.9040
159	4AX	0.9036
160	1DH	0.9027
161	7EX	0.9022
162	BXO	0.9020
163	0CL	0.9018
164	HSL	0.9017
165	PHZ	0.9009
166	KSW	0.9001
167	L60	0.8989
168	39J	0.8987
169	MBN	0.8986
170	DTI	0.8985
171	V1L	0.8983
172	9PO	0.8982
173	DMI	0.8979
174	MMQ	0.8976
175	LGA	0.8970
176	2IM	0.8969
177	HVK	0.8967
178	MCH	0.8965
179	2AP	0.8965
180	3AP	0.8965
181	93B	0.8962
182	4AP	0.8960
183	HRZ	0.8958
184	CHT	0.8957
185	VN4	0.8956
186	ETX	0.8954
187	C2N	0.8950
188	MSF	0.8950
189	IPH	0.8932
190	PRI	0.8929
191	WOT	0.8924
192	DCY	0.8923
193	NVI	0.8919
194	GXE	0.8916
195	MLI	0.8915
196	1SP	0.8914
197	DMG	0.8910
198	PUT	0.8905
199	TMO	0.8895
200	PIH	0.8892
201	ITU	0.8891
202	8CL	0.8886
203	BVG	0.8880
204	BVC	0.8866
205	HVQ	0.8866
206	2EZ	0.8852
207	FPO	0.8845
208	HV2	0.8841
209	HHN	0.8839
210	03S	0.8836
211	CB0	0.8824
212	FJO	0.8823
213	C5J	0.8823
214	ETM	0.8821
215	TTO	0.8813
216	MTD	0.8809
217	2HP	0.8801
218	TBU	0.8790
219	XPO	0.8788
220	MLA	0.8772
221	HGW	0.8770
222	TAY	0.8753
223	DSS	0.8752
224	8X3	0.8750
225	PPF	0.8749
226	TAU	0.8749
227	PO4	0.8746
228	2HE	0.8727
229	BF4	0.8713
230	HLT	0.8706
231	GB	0.8702
232	2PA	0.8676
233	3HL	0.8672
234	3HR	0.8672
235	P2D	0.8665
236	73M	0.8625
237	FUS	0.8594

Ligand no: 2; Ligand: M4S; Similar ligands found: 672

No:	Ligand	Similarity coefficient
1	TSU	0.9896
2	KBZ	0.9686
3	ANN	0.9649
4	AMS	0.9643
5	MAJ	0.9634
6	FCR	0.9631
7	PNZ	0.9619
8	4CM	0.9614
9	FBF	0.9607
10	AMH	0.9587
11	E5X	0.9582
12	S7J	0.9543
13	S0E	0.9539
14	BPN	0.9533
15	4JE	0.9529
16	4NZ	0.9527
17	4BZ	0.9525
18	SNO	0.9525
19	AM4	0.9512
20	1SA	0.9480
21	AES	0.9475
22	AAS	0.9473
23	36E	0.9468
24	SN4	0.9460
25	GWM	0.9447
26	PHB	0.9446
27	X0V	0.9428
28	259	0.9427
29	4SX	0.9425
30	4NM	0.9424
31	RNO	0.9423
32	LQ2	0.9422
33	HBD	0.9421
34	A7N	0.9420
35	EKZ	0.9417
36	I3E	0.9396
37	1Y6	0.9391
38	ZYX	0.9382
39	EVF	0.9382
40	PAB	0.9366
41	NPO	0.9364
42	Z82	0.9354
43	IFP	0.9352
44	EUE	0.9340
45	4NB	0.9333
46	1F1	0.9333
47	88L	0.9332
48	4WL	0.9327
49	4MA	0.9327
50	PBZ	0.9323
51	4FH	0.9321
52	OTR	0.9315
53	P72	0.9310
54	P9E	0.9306
55	MSR	0.9302
56	L14	0.9297
57	428	0.9293
58	174	0.9292
59	8WO	0.9291
60	SKF	0.9285
61	SW7	0.9285
62	152	0.9272
63	0HN	0.9270
64	TYL	0.9261
65	UA5	0.9256
66	826	0.9254
67	SNU	0.9250
68	BZ2	0.9244
69	HC4	0.9242
70	AC6	0.9242
71	HDH	0.9239
72	4P5	0.9239
73	2ZM	0.9234
74	PZM	0.9230
75	6NT	0.9228
76	0HO	0.9225
77	6NI	0.9224
78	RHU	0.9222
79	6KT	0.9212
80	1FD	0.9211
81	AZM	0.9210
82	5NI	0.9209
83	F1A	0.9203
84	5LA	0.9199
85	Z13	0.9193
86	8K2	0.9191
87	8ZE	0.9191
88	JDN	0.9180
89	CPZ	0.9178
90	4ZA	0.9177
91	ESX	0.9177
92	3NY	0.9176
93	HHH	0.9175
94	BL0	0.9174
95	13P	0.9171
96	6FZ	0.9170
97	PGH	0.9165
98	3A9	0.9164
99	ESP	0.9160
100	ZEC	0.9156
101	JAW	0.9151
102	2HU	0.9146
103	15E	0.9139
104	FA0	0.9139
105	4BL	0.9139
106	F4E	0.9138
107	DVQ	0.9136
108	JB8	0.9136
109	1X4	0.9134
110	IPB	0.9132
111	4NP	0.9130
112	TZF	0.9128
113	GP9	0.9126
114	4FA	0.9121
115	AEF	0.9120
116	ICB	0.9120
117	Q07	0.9120
118	4BY	0.9116
119	TAG	0.9113
120	ABI	0.9107
121	4NC	0.9102
122	3ZB	0.9096
123	H42	0.9096
124	K4V	0.9090
125	IAC	0.9087
126	F4K	0.9086
127	2FY	0.9084
128	3AE	0.9083
129	N2I	0.9082
130	E4P	0.9077
131	1M2	0.9077
132	UFV	0.9074
133	12T	0.9074
134	C1M	0.9073
135	4MB	0.9072
136	DHB	0.9071
137	INO	0.9069
138	4JQ	0.9069
139	2QC	0.9068
140	BHA	0.9067
141	0JD	0.9067
142	4M0	0.9066
143	XIY	0.9065
144	5XC	0.9065
145	3PG	0.9063
146	UNJ	0.9061
147	4YO	0.9061
148	LTL	0.9061
149	HPS	0.9061
150	DA4	0.9060
151	KDV	0.9053
152	GUA	0.9052
153	TGX	0.9051
154	QMP	0.9049
155	XXG	0.9047
156	9ZE	0.9045
157	E7S	0.9038
158	BZ3	0.9036
159	93K	0.9032
160	4VY	0.9031
161	AEG	0.9027
162	IHB	0.9027
163	535	0.9027
164	3BU	0.9026
165	ODO	0.9025
166	86L	0.9024
167	9R5	0.9023
168	SLS	0.9023
169	15N	0.9023
170	36Y	0.9022
171	JLZ	0.9021
172	FHC	0.9018
173	IOS	0.9017
174	4AA	0.9016
175	CHH	0.9016
176	3HM	0.9015
177	4NS	0.9015
178	4LR	0.9014
179	2HO	0.9014
180	MS9	0.9010
181	FHB	0.9009
182	94W	0.9008
183	GVM	0.9007
184	MQN	0.9006
185	0TU	0.9006
186	2BG	0.9006
187	LNR	0.9004
188	J6W	0.9003
189	G3H	0.9003
190	4HP	0.9002
191	5CU	0.9002
192	DOB	0.9001
193	B85	0.8999
194	FUD	0.8997
195	NNO	0.8995
196	5OB	0.8994
197	LPK	0.8994
198	P9P	0.8993
199	AKG	0.8992
200	54Z	0.8992
201	XX2	0.8992
202	PMB	0.8991
203	HNK	0.8990
204	4I8	0.8987
205	4A3	0.8987
206	CLW	0.8987
207	IP8	0.8985
208	CWJ	0.8983
209	2O6	0.8981
210	FB2	0.8981
211	CHB	0.8978
212	ES2	0.8977
213	PH3	0.8977
214	LR5	0.8977
215	A5E	0.8972
216	HBA	0.8969
217	2BX	0.8969
218	E1T	0.8961
219	9TW	0.8961
220	YRL	0.8961
221	PEP	0.8957
222	FBB	0.8957
223	2A9	0.8957
224	R1P	0.8957
225	EXD	0.8955
226	1P8	0.8953
227	9GB	0.8952
228	4FS	0.8949
229	27B	0.8946
230	MYJ	0.8945
231	G3P	0.8943
232	K2T	0.8942
233	EN1	0.8941
234	HG3	0.8941
235	DHR	0.8941
236	2AQ	0.8940
237	MR1	0.8939
238	F9Y	0.8939
239	L99	0.8930
240	PNP	0.8927
241	717	0.8927
242	ES5	0.8926
243	A7H	0.8926
244	03V	0.8924
245	DHY	0.8924
246	PPT	0.8923
247	QSB	0.8921
248	COU	0.8920
249	VGD	0.8920
250	5NU	0.8919
251	E0O	0.8918
252	MAH	0.8918
253	6RQ	0.8915
254	N4E	0.8913
255	LDP	0.8912
256	ET2	0.8910
257	449	0.8910
258	YPN	0.8909
259	OVM	0.8908
260	OCH	0.8908
261	NF3	0.8907
262	J9Q	0.8906
263	PIM	0.8905
264	KJU	0.8905
265	HNL	0.8905
266	MTL	0.8904
267	K5W	0.8902
268	5GT	0.8899
269	K97	0.8893
270	JA8	0.8893
271	SVD	0.8892
272	4JL	0.8891
273	KMH	0.8889
274	NM3	0.8888
275	5GU	0.8887
276	36R	0.8886
277	4VP	0.8886
278	IWT	0.8886
279	HIS	0.8886
280	GO2	0.8885
281	1DV	0.8884
282	92K	0.8882
283	5QY	0.8881
284	TCA	0.8880
285	GZ3	0.8879
286	NAG	0.8878
287	LLH	0.8876
288	OW4	0.8876
289	ASO	0.8875
290	C2B	0.8875
291	KTJ	0.8874
292	GJP	0.8874
293	HX4	0.8874
294	SG3	0.8872
295	TYE	0.8870
296	7WG	0.8869
297	2HC	0.8867
298	SSC	0.8866
299	CN0	0.8866
300	VD9	0.8861
301	N1E	0.8860
302	8XL	0.8860
303	DER	0.8860
304	DZA	0.8860
305	2AL	0.8859
306	52C	0.8859
307	PC	0.8858
308	SKA	0.8857
309	TTL	0.8857
310	3PF	0.8856
311	1L5	0.8854
312	9FL	0.8853
313	FBV	0.8852
314	OKG	0.8852
315	R67	0.8849
316	173	0.8843
317	RD4	0.8843
318	RYV	0.8843
319	FBW	0.8841
320	BDP	0.8840
321	YI6	0.8840
322	KYN	0.8839
323	GPJ	0.8839
324	GPF	0.8839
325	FQI	0.8838
326	GZQ	0.8837
327	2F6	0.8836
328	SKM	0.8835
329	4RU	0.8835
330	X0U	0.8835
331	GXY	0.8833
332	1HN	0.8832
333	QY9	0.8832
334	0F3	0.8831
335	CH9	0.8831
336	3VS	0.8830
337	A5P	0.8827
338	PPY	0.8827
339	SEP	0.8827
340	1GP	0.8826
341	9FE	0.8825
342	OGA	0.8825
343	CFA	0.8824
344	4JM	0.8824
345	7MW	0.8824
346	AN3	0.8822
347	AX7	0.8816
348	DE5	0.8816
349	HHI	0.8814
350	Q02	0.8813
351	8NB	0.8813
352	4XV	0.8812
353	TWO	0.8811
354	PFL	0.8811
355	PIY	0.8810
356	FBA	0.8810
357	SOR	0.8809
358	DXP	0.8808
359	E7Z	0.8806
360	4XS	0.8806
361	9CA	0.8805
362	FA1	0.8804
363	HA5	0.8804
364	TT4	0.8803
365	S2G	0.8803
366	GDE	0.8802
367	M3H	0.8800
368	OQC	0.8798
369	5VM	0.8798
370	ZXD	0.8798
371	RBJ	0.8798
372	3SL	0.8796
373	11S	0.8795
374	7O4	0.8793
375	ESI	0.8792
376	DHK	0.8791
377	0FN	0.8790
378	2HG	0.8789
379	363	0.8787
380	4TU	0.8786
381	BHQ	0.8784
382	H8N	0.8783
383	DEZ	0.8782
384	TH7	0.8782
385	492	0.8781
386	4Z4	0.8780
387	N91	0.8779
388	HQJ	0.8776
389	DJN	0.8775
390	PAC	0.8775
391	97T	0.8774
392	7VP	0.8774
393	3HG	0.8773
394	FB1	0.8772
395	1IT	0.8772
396	N2M	0.8771
397	BNL	0.8771
398	657	0.8770
399	A09	0.8770
400	42J	0.8769
401	DDU	0.8769
402	7N0	0.8768
403	AL0	0.8767
404	D48	0.8767
405	CTL	0.8766
406	MZT	0.8766
407	3DM	0.8765
408	3FH	0.8764
409	CFI	0.8763
410	5WV	0.8763
411	DX3	0.8763
412	S24	0.8761
413	KOJ	0.8761
414	HCI	0.8761
415	DPN	0.8759
416	CXP	0.8759
417	3VX	0.8759
418	XM0	0.8759
419	PO6	0.8758
420	5XB	0.8756
421	5GV	0.8756
422	7MU	0.8755
423	VC3	0.8753
424	2FT	0.8752
425	XCZ	0.8752
426	B62	0.8752
427	W81	0.8751
428	7W1	0.8751
429	PHU	0.8751
430	J9N	0.8750
431	4LW	0.8750
432	3R4	0.8749
433	BZJ	0.8749
434	6ME	0.8748
435	XIZ	0.8746
436	NSP	0.8746
437	OOG	0.8745
438	HMH	0.8744
439	GJZ	0.8743
440	FK1	0.8741
441	9BF	0.8740
442	RSO	0.8740
443	1Z6	0.8738
444	CCD	0.8738
445	FK8	0.8738
446	80G	0.8736
447	YIE	0.8735
448	K34	0.8734
449	OW7	0.8734
450	PHE	0.8734
451	36M	0.8733
452	HNH	0.8732
453	KMY	0.8732
454	OVP	0.8731
455	F02	0.8731
456	D5X	0.8730
457	Y4L	0.8728
458	2HQ	0.8728
459	8H8	0.8726
460	4JT	0.8725
461	CCU	0.8724
462	GLU	0.8723
463	MZM	0.8721
464	RA7	0.8720
465	14J	0.8719
466	XUL	0.8718
467	8NX	0.8718
468	9NB	0.8718
469	DS0	0.8717
470	8NY	0.8717
471	3S5	0.8716
472	ABV	0.8716
473	86J	0.8716
474	DHI	0.8716
475	51R	0.8715
476	QMR	0.8713
477	8U3	0.8712
478	BEZ	0.8712
479	GF4	0.8711
480	H4N	0.8710
481	CCE	0.8710
482	XQ0	0.8708
483	FDR	0.8707
484	F31	0.8707
485	QSH	0.8705
486	AAN	0.8704
487	IV2	0.8704
488	HMU	0.8704
489	3C4	0.8701
490	3QV	0.8700
491	TYR	0.8700
492	ST3	0.8700
493	MP5	0.8700
494	0BP	0.8699
495	AT3	0.8698
496	92G	0.8698
497	M45	0.8697
498	ES9	0.8697
499	J9T	0.8695
500	JTH	0.8694
501	FOM	0.8694
502	GLO	0.8694
503	TPA	0.8693
504	ISZ	0.8692
505	LT2	0.8689
506	RMN	0.8688
507	XRG	0.8686
508	CIT	0.8686
509	ICO	0.8686
510	PQK	0.8685
511	A29	0.8685
512	FYU	0.8684
513	KTW	0.8683
514	EZ1	0.8682
515	PKU	0.8681
516	NDH	0.8681
517	G3E	0.8680
518	DHS	0.8680
519	NOJ	0.8679
520	0V5	0.8679
521	12Q	0.8678
522	BHO	0.8678
523	14O	0.8675
524	L22	0.8675
525	GOJ	0.8673
526	2K4	0.8670
527	5MB	0.8669
528	F60	0.8669
529	0NX	0.8669
530	5MI	0.8668
531	SG2	0.8668
532	FBM	0.8668
533	PJW	0.8667
534	SD4	0.8667
535	4V2	0.8665
536	2MI	0.8664
537	MPV	0.8663
538	J5I	0.8663
539	BBK	0.8662
540	N2Z	0.8661
541	URS	0.8660
542	FGZ	0.8659
543	XCG	0.8659
544	SME	0.8658
545	NDG	0.8658
546	6FB	0.8658
547	TMG	0.8655
548	SE2	0.8655
549	4XR	0.8655
550	ROI	0.8653
551	URO	0.8653
552	SYV	0.8652
553	K82	0.8651
554	RP3	0.8651
555	XHP	0.8651
556	PBC	0.8650
557	GLN	0.8650
558	HQT	0.8650
559	1A7	0.8650
560	GGL	0.8648
561	24B	0.8648
562	R20	0.8648
563	SMN	0.8647
564	QIV	0.8645
565	6AI	0.8645
566	8OZ	0.8644
567	P92	0.8642
568	5H1	0.8641
569	NCT	0.8641
570	BEN	0.8639
571	5QX	0.8638
572	DQU	0.8637
573	TLA	0.8636
574	FA3	0.8636
575	BZX	0.8636
576	KJH	0.8636
577	XDE	0.8635
578	BNF	0.8634
579	GLC	0.8634
580	KKN	0.8634
581	44W	0.8634
582	2KA	0.8634
583	TIH	0.8634
584	5RO	0.8631
585	JAH	0.8630
586	AHC	0.8627
587	6SD	0.8627
588	ES7	0.8625
589	ZZZ	0.8624
590	SRT	0.8623
591	OTW	0.8623
592	AOT	0.8622
593	M4T	0.8622
594	NGA	0.8622
595	EYV	0.8619
596	NCA	0.8618
597	HX3	0.8617
598	SWX	0.8616
599	2FX	0.8616
600	HSO	0.8615
601	CK2	0.8615
602	PGA	0.8615
603	JAE	0.8613
604	9UL	0.8612
605	KYA	0.8612
606	N8Y	0.8611
607	ENO	0.8610
608	270	0.8610
609	GZL	0.8608
610	EDR	0.8607
611	069	0.8605
612	PSE	0.8605
613	61M	0.8604
614	QX4	0.8604
615	JRB	0.8603
616	6M4	0.8603
617	THA	0.8601
618	3XR	0.8600
619	CXF	0.8600
620	ISN	0.8600
621	TRP	0.8599
622	ADA	0.8599
623	PEQ	0.8598
624	EPR	0.8595
625	JB5	0.8594
626	JG8	0.8594
627	129	0.8593
628	F9P	0.8593
629	FTV	0.8593
630	67N	0.8591
631	BNS	0.8590
632	Q06	0.8589
633	HBO	0.8587
634	BAM	0.8587
635	YZM	0.8586
636	AA	0.8585
637	ZZT	0.8584
638	C2Y	0.8583
639	ALE	0.8582
640	SSB	0.8581
641	5RP	0.8580
642	B57	0.8580
643	A2G	0.8577
644	0A1	0.8576
645	GRO	0.8575
646	7W4	0.8574
647	6PC	0.8574
648	OMD	0.8573
649	GVY	0.8573
650	KJ5	0.8573
651	P4B	0.8572
652	92P	0.8567
653	DBX	0.8565
654	C53	0.8564
655	5RN	0.8562
656	2PG	0.8562
657	1A5	0.8562
658	2FQ	0.8557
659	UNU	0.8555
660	NIO	0.8548
661	GDL	0.8548
662	M5H	0.8548
663	46P	0.8544
664	QIC	0.8542
665	ASC	0.8541
666	DIN	0.8539
667	MRW	0.8534
668	BEA	0.8531
669	I2E	0.8518
670	GTR	0.8517
671	0FO	0.8516
672	M1A	0.8514

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

Pocket No.: 1; Query (leader) PDB : 4GQL; Ligand: R47; Similar sites found with APoc: 3

This union binding pocket(no: 1) in the query (biounit: 4gql.bio1) has 69 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	4DD8	BAT	8.1761
2	4DD8	BAT	8.1761
3	1YP1	LYS ASN LEU	10.6918

APoc FAQ