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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
5R21	1.05 Å	EC: 3.4.23.22	PANDDA ANALYSIS GROUP DEPOSITION -- ENDOTHIAPEPSIN IN COMPLE FRAGMENT F2X-ENTRY E07, DMSO-FREE	CRYPHONECTRIA PARASITICA	HYDROLASE
Ref.:	F2X-UNIVERSAL AND F2X-ENTRY: STRUCTURALLY DIVERSE C LIBRARIES FOR CRYSTALLOGRAPHIC FRAGMENT SCREENING. STRUCTURE V. 28 694 2020

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	NGL Viewer	Molecular Weight (Da)	Formula	SMILES
R9Y	A:401;	Valid;	none;	submit data		176.258	C11 H16 N2	CN1CC...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
5HCT	1.36 Å	EC: 3.4.23.22	ENDOTHIAPEPSIN IN COMPLEX WITH BIACYLHYDRAZONE	CRYPHONECTRIA PARASITICA	HYDROLASE INHIBITION
Ref.:	FRAGMENT LINKING AND OPTIMIZATION OF INHIBITORS OF ASPARTIC PROTEASE ENDOTHIAPEPSIN: FRAGMENT-BASED DR FACILITATED BY DYNAMIC COMBINATORIAL CHEMISTRY. ANGEW.CHEM.INT.ED.ENGL. V. 55 9422 2016

Members (51)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	5RBV	-	RQD	C10 H12 F N O2	COC(=O)[C@....
2	5RCG	-	REG	C11 H20 N2 O2	C1CCC(C1)N....
3	5R1U	-	T9G	C9 H13 N O	CC[C@H](c1....
4	5RC3	-	RAY	C11 H14 F N O3	COCCOCC(=O....
5	5R21	-	R9Y	C11 H16 N2	CN1CCCc2c1....
6	5RCE	-	RE4	C11 H13 N5	Cc1cc(nc(n....
7	5RBS	-	R8V	C9 H9 N O2	CN1[C@H](c....
8	5RBU	-	R97	C10 H10 N2 S	Cc1csc(n1)....
9	5R2C	-	RE4	C11 H13 N5	Cc1cc(nc(n....
10	5R20	-	R9V	C14 H19 N O	c1ccc(cc1)....
11	5RCC	-	RDV	C12 H22 N2 O	C1CCC(C1)C....
12	5RC4	-	RB7	C11 H16 Br N O2 S	Cc1cc(ccc1....
13	5R25	-	RBJ	C8 H11 N O	CNCc1ccc(c....
14	5HCT	Ki = 0.0254 uM	61P	C30 H30 N8 O2	c1ccc2c(c1....
15	5R1W	-	R8Y	C10 H13 N O3 S	CCN(CCC(=O....
16	5R23	-	RAY	C11 H14 F N O3	COCCOCC(=O....
17	5RC5	-	RBG	C10 H20 N2 O	CC(C)(C)NC....
18	5RCB	-	RDM	C12 H15 N O3	CC(=O)N[C@....
19	5RC6	-	RBJ	C8 H11 N O	CNCc1ccc(c....
20	5RBQ	-	R8P	C8 H9 N O3	C[C@@H](c1....
21	5R1V	-	R8S	C5 H8 N4 O	COc1ccnc(n....
22	5R1Z	-	R9M	C6 H7 N O2 S	c1csc(n1)C....
23	5R2B	-	RDY	C12 H15 N O4	C[C@@H](C(....
24	5RC7	-	AES	C8 H10 F N O2 S	c1cc(ccc1C....
25	5RBO	-	R8A	C6 H8 N2 O	c1cc(c(nc1....
26	5R26	-	RCV	C10 H13 N O3	COC(=O)COc....
27	5R1Y	-	R9J	C11 H15 N O2	Cc1ccc(cc1....
28	5RBZ	-	R9S	C9 H11 N O	Cc1ccccc1C....
29	5R1X	-	RQD	C10 H12 F N O2	COC(=O)[C@....
30	5RC8	-	RCV	C10 H13 N O3	COC(=O)COc....
31	5RC9	-	RD4	C9 H12 N2 O	[H]/N=C(c1....
32	5RBY	-	R9M	C6 H7 N O2 S	c1csc(n1)C....
33	5RCF	-	RE7	C13 H16 F N3	C[C@H](c1c....
34	5R24	-	RB7	C11 H16 Br N O2 S	Cc1cc(ccc1....
35	5R28	-	RDJ	C9 H15 N3 O2 S	CCNC(=O)CS....
36	5RBT	-	RA7	C8 H12 N2 O2 S	c1c(sc(n1)....
37	5RCD	-	RDY	C12 H15 N O4	C[C@@H](C(....
38	5RBR	-	R8S	C5 H8 N4 O	COc1ccnc(n....
39	5R2D	-	REG	C11 H20 N2 O2	C1CCC(C1)N....
40	5RC0	-	R9V	C14 H19 N O	c1ccc(cc1)....
41	5R29	-	RDM	C12 H15 N O3	CC(=O)N[C@....
42	5R1T	-	R8A	C6 H8 N2 O	c1cc(c(nc1....
43	5R2A	-	RDV	C12 H22 N2 O	C1CCC(C1)C....
44	5R27	-	RD4	C9 H12 N2 O	[H]/N=C(c1....
45	5RBX	-	R9J	C11 H15 N O2	Cc1ccc(cc1....
46	5RC1	-	R9Y	C11 H16 N2	CN1CCCc2c1....
47	5RCA	-	RDJ	C9 H15 N3 O2 S	CCNC(=O)CS....
48	5R22	-	RA7	C8 H12 N2 O2 S	c1c(sc(n1)....
49	5RC2	-	R8Y	C10 H13 N O3 S	CCN(CCC(=O....
50	5RBW	-	R9G	C12 H15 N O2	COc1cccc(c....
51	5RBP	-	SYG	C9 H13 N O	CC[C@@H](c....

70% Homology Family (141)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	1E81	-	M91	C34 H49 N5 O6 S	CSC[C@@H](....
2	4ZEA	-	IMI	C10 H17 N3 O2 S	C1[C@H]2[C....
3	3ER3	Ki = 81 nM	0EL	C51 H78 N8 O9	NULL
4	4Y4D	-	CFF	C8 H10 N4 O2	Cn1cnc2c1C....
5	5LWT	-	7B3	C10 H13 N3 O	Cc1c2cnnc(....
6	1EPM	-	THR PHE GLN ALA PSA LEU ARG GLU	n/a	n/a
7	1EED	Ki = 16.2 uM	0EO	C34 H55 N3 O8	CC(C)C[C@@....
8	3PMY	-	41L	C15 H13 N3 O	c1ccc(cc1)....
9	1OEX	-	BOC HIS PRO PHE ALA LOV ILE HIS	n/a	n/a
10	4ER4	Ki = 160 nM	PRO HIS PRO PHE HIS LAV ILE HIS LYS	n/a	n/a
11	4LBT	Ki = 6 uM	1TZ	C21 H24 N4 O	Cc1cc(c(c(....
12	3PWW	-	ROC	C38 H50 N6 O5	CC(C)(C)NC....
13	4Y38	Kd = 4 mM	0A9	C10 H13 N O2	COC(=O)[C@....
14	2JJJ	-	0QS	C36 H56 F2 N7 O8 S	CC(C)(C)S(....
15	1GVV	-	0GM	C51 H61 N5 O6	CC(C)C[C@H....
16	3PMU	-	F7L	C14 H20 F N O2	c1ccc(c(c1....
17	5OJE	Ki = 6.1 uM	VSK	C22 H27 N3 O	Cc1cc(c(c(....
18	1GVT	-	2ZS	C31 H48 N4 O7 S	CC(C)OC(=O....
19	1EPR	-	0QS	C36 H56 F2 N7 O8 S	CC(C)(C)S(....
20	5MB5	-	46P	C8 H10 N4 S	Cc1c(sc(n1....
21	5MB7	-	4AV	C8 H9 Cl N2 O2	CNCc1cc(cc....
22	4Y4G	-	GGB	C5 H12 N4 O3	[H]/N=C(N)....
23	3ER5	Ki = 1 nM	PRO HIS PRO PHE HIS STA VAL ILE HIS LYS	n/a	n/a
24	3URL	-	HIS SER LEU PHE HIS PUK THR PRO	n/a	n/a
25	3PCZ	-	BAM	C7 H9 N2	c1ccc(cc1)....
26	2V00	Kd = 0.22 mM	V15	C12 H13 N3 O	c1ccc(cc1)....
27	5LWR	-	7B2	C27 H29 Cl N9 O	Cc1c2cnn3c....
28	3PLL	-	F06	C8 H9 Cl N2 S	[H]/N=C(N)....
29	4ER2	Ki = 0.5 nM	IVA VAL VAL STA ALA STA	n/a	n/a
30	4LP9	ic50 = 0.62 uM	SER LEU PHE HIS 22G THR PRO	n/a	n/a
31	3PRS	-	RIT	C37 H48 N6 O5 S2	CC(C)c1nc(....
32	1ENT	Ki = 110 nM	0EM	C32 H52 N6 O7 P	NULL
33	1E80	-	0GQ	C41 H64 N10 O6	CC[C@H](C)....
34	5LWS	-	7B2	C27 H29 Cl N9 O	Cc1c2cnn3c....
35	3PBD	-	F05	C8 H8 N2	c1ccc2c(c1....
36	1OD1	-	0QS	C36 H56 F2 N7 O8 S	CC(C)(C)S(....
37	3WZ6	Ki = 1.1 uM	IXZ	C27 H25 N3 O2 S	c1ccc(cc1)....
38	5ER1	Ki = 960 nM	0HT	C28 H48 N4 O5	CC[C@H](C)....
39	1OEW	-	SER THR	n/a	n/a
40	1EPQ	Ki = 6.5 nM	0QF	C31 H52 N4 O7 S2	CCS[C@@H](....
41	5MB3	-	5GL	C13 H20 N2 O S	CCCN1C2=C(....
42	2JJI	-	0QS	C36 H56 F2 N7 O8 S	CC(C)(C)S(....
43	3PCW	-	FBF	C8 H7 F3 N2	[H]/N=C(/c....
44	3PGI	-	F41	C14 H18 N2 O3	c1cc2c(cc1....
45	4Y3J	Kd = 6.8 mM	HIC	C7 H11 N3 O2	Cn1cc(nc1)....
46	1GVW	Ki = 110 nM	0EM	C32 H52 N6 O7 P	NULL
47	5ER2	Ki = 0.27 uM	0EK	C50 H77 N9 O9	NULL
48	1EPP	Ki = 69 nM	1Z1	C32 H57 N7 O6 S2	CC[C@H](C)....
49	2ER7	ic50 = 0.7 nM	BOC HIS PRO PHE HIS LOV ILE HIS	n/a	n/a
50	4KUP	Ki = 6 uM	1TZ	C21 H24 N4 O	Cc1cc(c(c(....
51	3WZ7	Ki = 1.8 uM	IXY	C28 H30 N4 O2 S	c1ccc(cc1)....
52	1EPO	Ki = 11 nM	2Z3	C32 H49 F2 N5 O7	NULL
53	1ER8	-	DHI PRO PHE HIS LEU LEU VAL TYR	n/a	n/a
54	3WZ8	Ki = 1.5 uM	IXV	C27 H25 N3 O2 S	c1ccc(cc1)....
55	3PI0	-	F91	C14 H14 N2 O2	c1cc2c(cc1....
56	1GVU	Ki = 1 nM	PRO HIS PRO PHE HIS STA VAL ILE HIS LYS	n/a	n/a
57	1EPL	-	PRO LEU GLU PSA ARG LEU	n/a	n/a
58	4Y3Y	Kd = 4.5 mM	DCL	C6 H15 N O	CC(C)C[C@@....
59	1E5O	-	3AI	C23 H38 N4 O4 S	CC[C@H](C)....
60	3PLD	-	F90	C8 H9 Cl N2 S	[H]/N=C(N)....
61	5MB0	Kd = 1.4 mM	F91	C14 H14 N2 O2	c1cc2c(cc1....
62	2ER6	Ki = 60 nM	PRO THR GLU PUK ARG GLU	n/a	n/a
63	3URI	-	HIS PRO HIS LEU SER 13E ALA HIS	n/a	n/a
64	4LHH	Ki = 6 uM	1TZ	C21 H24 N4 O	Cc1cc(c(c(....
65	4Y48	-	GLY PRO	n/a	n/a
66	1E82	-	M90	C34 H49 N5 O6 S	CSC[C@@H](....
67	1EPN	-	2ZS	C31 H48 N4 O7 S	CC(C)OC(=O....
68	2ER9	Ki = 40 nM	BOC HIS PRO PHE HIS STA LEU PHE	n/a	n/a
69	4Y4J	Kd = 3.4 mM	LNR	C8 H11 N O3	c1cc(c(cc1....
70	1GVX	Ki = 60 nM	PRO THR GLU PUK ARG GLU	n/a	n/a
71	3PM4	-	F5N	C15 H13 N3 O	c1ccc(cc1)....
72	3PB5	-	F63	C11 H12 N2 O2	CNCc1ccc(o....
73	4ZE6	Kd = 3.3 mM	011	C7 H15 N O2	C(CCCN)CCC....
74	3PBZ	-	F02	C11 H17 N3 O	CCN(CC)c1c....
75	4ER1	Ki = 0.24 uM	0ZP	C51 H68 N5 O4	CC[C@H](C)....
76	5RBV	-	RQD	C10 H12 F N O2	COC(=O)[C@....
77	5RCG	-	REG	C11 H20 N2 O2	C1CCC(C1)N....
78	5R1U	-	T9G	C9 H13 N O	CC[C@H](c1....
79	5RC3	-	RAY	C11 H14 F N O3	COCCOCC(=O....
80	5R21	-	R9Y	C11 H16 N2	CN1CCCc2c1....
81	5RCE	-	RE4	C11 H13 N5	Cc1cc(nc(n....
82	5RBS	-	R8V	C9 H9 N O2	CN1[C@H](c....
83	5RBU	-	R97	C10 H10 N2 S	Cc1csc(n1)....
84	5R2C	-	RE4	C11 H13 N5	Cc1cc(nc(n....
85	5R20	-	R9V	C14 H19 N O	c1ccc(cc1)....
86	5RCC	-	RDV	C12 H22 N2 O	C1CCC(C1)C....
87	5RC4	-	RB7	C11 H16 Br N O2 S	Cc1cc(ccc1....
88	5R25	-	RBJ	C8 H11 N O	CNCc1ccc(c....
89	5HCT	Ki = 0.0254 uM	61P	C30 H30 N8 O2	c1ccc2c(c1....
90	5R1W	-	R8Y	C10 H13 N O3 S	CCN(CCC(=O....
91	5R23	-	RAY	C11 H14 F N O3	COCCOCC(=O....
92	5RC5	-	RBG	C10 H20 N2 O	CC(C)(C)NC....
93	5RCB	-	RDM	C12 H15 N O3	CC(=O)N[C@....
94	5RC6	-	RBJ	C8 H11 N O	CNCc1ccc(c....
95	5RBQ	-	R8P	C8 H9 N O3	C[C@@H](c1....
96	5R1V	-	R8S	C5 H8 N4 O	COc1ccnc(n....
97	5R1Z	-	R9M	C6 H7 N O2 S	c1csc(n1)C....
98	5R2B	-	RDY	C12 H15 N O4	C[C@@H](C(....
99	5RC7	-	AES	C8 H10 F N O2 S	c1cc(ccc1C....
100	5RBO	-	R8A	C6 H8 N2 O	c1cc(c(nc1....
101	5R26	-	RCV	C10 H13 N O3	COC(=O)COc....
102	5R1Y	-	R9J	C11 H15 N O2	Cc1ccc(cc1....
103	5RBZ	-	R9S	C9 H11 N O	Cc1ccccc1C....
104	5R1X	-	RQD	C10 H12 F N O2	COC(=O)[C@....
105	5RC8	-	RCV	C10 H13 N O3	COC(=O)COc....
106	5RC9	-	RD4	C9 H12 N2 O	[H]/N=C(c1....
107	5RBY	-	R9M	C6 H7 N O2 S	c1csc(n1)C....
108	5RCF	-	RE7	C13 H16 F N3	C[C@H](c1c....
109	5R24	-	RB7	C11 H16 Br N O2 S	Cc1cc(ccc1....
110	5R28	-	RDJ	C9 H15 N3 O2 S	CCNC(=O)CS....
111	5RBT	-	RA7	C8 H12 N2 O2 S	c1c(sc(n1)....
112	5RCD	-	RDY	C12 H15 N O4	C[C@@H](C(....
113	5RBR	-	R8S	C5 H8 N4 O	COc1ccnc(n....
114	5R2D	-	REG	C11 H20 N2 O2	C1CCC(C1)N....
115	5RC0	-	R9V	C14 H19 N O	c1ccc(cc1)....
116	5R29	-	RDM	C12 H15 N O3	CC(=O)N[C@....
117	5R1T	-	R8A	C6 H8 N2 O	c1cc(c(nc1....
118	5R2A	-	RDV	C12 H22 N2 O	C1CCC(C1)C....
119	5R27	-	RD4	C9 H12 N2 O	[H]/N=C(c1....
120	5RBX	-	R9J	C11 H15 N O2	Cc1ccc(cc1....
121	5RC1	-	R9Y	C11 H16 N2	CN1CCCc2c1....
122	5RCA	-	RDJ	C9 H15 N3 O2 S	CCNC(=O)CS....
123	5R22	-	RA7	C8 H12 N2 O2 S	c1c(sc(n1)....
124	5RC2	-	R8Y	C10 H13 N O3 S	CCN(CCC(=O....
125	5RBW	-	R9G	C12 H15 N O2	COc1cccc(c....
126	5RBP	-	SYG	C9 H13 N O	CC[C@@H](c....
127	1PPM	Ki = 1600 nM	0P1	C29 H40 N3 O9 P	C[C@@H](C(....
128	2WED	Ki = 0.8 uM	PP6	C29 H32 N2 O7 P	CC(C)[C@H]....
129	1APU	Ki = 1.6 nM	IVA VAL VAL 32L	n/a	n/a
130	2WEC	Ki = 110 uM	PP5	C28 H32 N2 O7 P	CC(C)[C@@H....
131	1APW	Ki = 10 nM	IVA VAL VAL DFI NME	n/a	n/a
132	1PPL	Ki = 2.8 nM	1Z7	C30 H50 N3 O8 P	CC(C)C[C@H....
133	2WEB	Ki = 7.6 uM	PP4	C28 H32 N2 O7 P	CC(C)[C@@H....
134	2WEA	-	PP6	C29 H32 N2 O7 P	CC(C)[C@H]....
135	1BXO	Ki = 0.1 nM	PP7	C30 H47 N4 O9 P	CC(C)C[C@@....
136	1APT	-	IVA VAL VAL LTA	n/a	n/a
137	1PPK	Ki = 22 nM	IVV	C24 H46 N3 O7 P	CCOC(=O)C[....
138	1BXQ	Ki = 42 nM	PP8	C29 H47 N4 O9 P	CC(C)C[C@H....
139	1APV	Ki = 1 nM	IVA VAL VAL DFO NME	n/a	n/a
140	1IZE	-	IVA VAL VAL STA ALA STA	n/a	n/a
141	3EMY	-	IVA VAL VAL STA ALA STA	n/a	n/a

50% Homology Family (209)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 1 families.
1	1E81	-	M91	C34 H49 N5 O6 S	CSC[C@@H](....
2	4ZEA	-	IMI	C10 H17 N3 O2 S	C1[C@H]2[C....
3	3ER3	Ki = 81 nM	0EL	C51 H78 N8 O9	NULL
4	4Y4D	-	CFF	C8 H10 N4 O2	Cn1cnc2c1C....
5	5LWT	-	7B3	C10 H13 N3 O	Cc1c2cnnc(....
6	1EPM	-	THR PHE GLN ALA PSA LEU ARG GLU	n/a	n/a
7	1EED	Ki = 16.2 uM	0EO	C34 H55 N3 O8	CC(C)C[C@@....
8	3PMY	-	41L	C15 H13 N3 O	c1ccc(cc1)....
9	1OEX	-	BOC HIS PRO PHE ALA LOV ILE HIS	n/a	n/a
10	4ER4	Ki = 160 nM	PRO HIS PRO PHE HIS LAV ILE HIS LYS	n/a	n/a
11	4LBT	Ki = 6 uM	1TZ	C21 H24 N4 O	Cc1cc(c(c(....
12	3PWW	-	ROC	C38 H50 N6 O5	CC(C)(C)NC....
13	4Y38	Kd = 4 mM	0A9	C10 H13 N O2	COC(=O)[C@....
14	2JJJ	-	0QS	C36 H56 F2 N7 O8 S	CC(C)(C)S(....
15	1GVV	-	0GM	C51 H61 N5 O6	CC(C)C[C@H....
16	3PMU	-	F7L	C14 H20 F N O2	c1ccc(c(c1....
17	5OJE	Ki = 6.1 uM	VSK	C22 H27 N3 O	Cc1cc(c(c(....
18	1GVT	-	2ZS	C31 H48 N4 O7 S	CC(C)OC(=O....
19	1EPR	-	0QS	C36 H56 F2 N7 O8 S	CC(C)(C)S(....
20	5MB5	-	46P	C8 H10 N4 S	Cc1c(sc(n1....
21	5MB7	-	4AV	C8 H9 Cl N2 O2	CNCc1cc(cc....
22	4Y4G	-	GGB	C5 H12 N4 O3	[H]/N=C(N)....
23	3ER5	Ki = 1 nM	PRO HIS PRO PHE HIS STA VAL ILE HIS LYS	n/a	n/a
24	3URL	-	HIS SER LEU PHE HIS PUK THR PRO	n/a	n/a
25	3PCZ	-	BAM	C7 H9 N2	c1ccc(cc1)....
26	2V00	Kd = 0.22 mM	V15	C12 H13 N3 O	c1ccc(cc1)....
27	5LWR	-	7B2	C27 H29 Cl N9 O	Cc1c2cnn3c....
28	3PLL	-	F06	C8 H9 Cl N2 S	[H]/N=C(N)....
29	4ER2	Ki = 0.5 nM	IVA VAL VAL STA ALA STA	n/a	n/a
30	4LP9	ic50 = 0.62 uM	SER LEU PHE HIS 22G THR PRO	n/a	n/a
31	3PRS	-	RIT	C37 H48 N6 O5 S2	CC(C)c1nc(....
32	1ENT	Ki = 110 nM	0EM	C32 H52 N6 O7 P	NULL
33	1E80	-	0GQ	C41 H64 N10 O6	CC[C@H](C)....
34	5LWS	-	7B2	C27 H29 Cl N9 O	Cc1c2cnn3c....
35	3PBD	-	F05	C8 H8 N2	c1ccc2c(c1....
36	1OD1	-	0QS	C36 H56 F2 N7 O8 S	CC(C)(C)S(....
37	3WZ6	Ki = 1.1 uM	IXZ	C27 H25 N3 O2 S	c1ccc(cc1)....
38	5ER1	Ki = 960 nM	0HT	C28 H48 N4 O5	CC[C@H](C)....
39	1OEW	-	SER THR	n/a	n/a
40	1EPQ	Ki = 6.5 nM	0QF	C31 H52 N4 O7 S2	CCS[C@@H](....
41	5MB3	-	5GL	C13 H20 N2 O S	CCCN1C2=C(....
42	2JJI	-	0QS	C36 H56 F2 N7 O8 S	CC(C)(C)S(....
43	3PCW	-	FBF	C8 H7 F3 N2	[H]/N=C(/c....
44	3PGI	-	F41	C14 H18 N2 O3	c1cc2c(cc1....
45	4Y3J	Kd = 6.8 mM	HIC	C7 H11 N3 O2	Cn1cc(nc1)....
46	1GVW	Ki = 110 nM	0EM	C32 H52 N6 O7 P	NULL
47	5ER2	Ki = 0.27 uM	0EK	C50 H77 N9 O9	NULL
48	1EPP	Ki = 69 nM	1Z1	C32 H57 N7 O6 S2	CC[C@H](C)....
49	2ER7	ic50 = 0.7 nM	BOC HIS PRO PHE HIS LOV ILE HIS	n/a	n/a
50	4KUP	Ki = 6 uM	1TZ	C21 H24 N4 O	Cc1cc(c(c(....
51	3WZ7	Ki = 1.8 uM	IXY	C28 H30 N4 O2 S	c1ccc(cc1)....
52	1EPO	Ki = 11 nM	2Z3	C32 H49 F2 N5 O7	NULL
53	1ER8	-	DHI PRO PHE HIS LEU LEU VAL TYR	n/a	n/a
54	3WZ8	Ki = 1.5 uM	IXV	C27 H25 N3 O2 S	c1ccc(cc1)....
55	3PI0	-	F91	C14 H14 N2 O2	c1cc2c(cc1....
56	1GVU	Ki = 1 nM	PRO HIS PRO PHE HIS STA VAL ILE HIS LYS	n/a	n/a
57	1EPL	-	PRO LEU GLU PSA ARG LEU	n/a	n/a
58	4Y3Y	Kd = 4.5 mM	DCL	C6 H15 N O	CC(C)C[C@@....
59	1E5O	-	3AI	C23 H38 N4 O4 S	CC[C@H](C)....
60	3PLD	-	F90	C8 H9 Cl N2 S	[H]/N=C(N)....
61	5MB0	Kd = 1.4 mM	F91	C14 H14 N2 O2	c1cc2c(cc1....
62	2ER6	Ki = 60 nM	PRO THR GLU PUK ARG GLU	n/a	n/a
63	3URI	-	HIS PRO HIS LEU SER 13E ALA HIS	n/a	n/a
64	4LHH	Ki = 6 uM	1TZ	C21 H24 N4 O	Cc1cc(c(c(....
65	4Y48	-	GLY PRO	n/a	n/a
66	1E82	-	M90	C34 H49 N5 O6 S	CSC[C@@H](....
67	1EPN	-	2ZS	C31 H48 N4 O7 S	CC(C)OC(=O....
68	2ER9	Ki = 40 nM	BOC HIS PRO PHE HIS STA LEU PHE	n/a	n/a
69	4Y4J	Kd = 3.4 mM	LNR	C8 H11 N O3	c1cc(c(cc1....
70	1GVX	Ki = 60 nM	PRO THR GLU PUK ARG GLU	n/a	n/a
71	3PM4	-	F5N	C15 H13 N3 O	c1ccc(cc1)....
72	3PB5	-	F63	C11 H12 N2 O2	CNCc1ccc(o....
73	4ZE6	Kd = 3.3 mM	011	C7 H15 N O2	C(CCCN)CCC....
74	3PBZ	-	F02	C11 H17 N3 O	CCN(CC)c1c....
75	4ER1	Ki = 0.24 uM	0ZP	C51 H68 N5 O4	CC[C@H](C)....
76	3OWN	Ki = 34 nM	3OX	C37 H48 N4 O7 S	CC(C)CNC(=....
77	2G21	-	L1B	C19 H24 N5 O	CCc1c(c(nc....
78	4RYC	ic50 = 0.08 uM	3ZK	C27 H39 N3 O6 S	Cc1ccc(cc1....
79	3D91	Kd = 131 pM	REM	C33 H50 N4 O6 S	CC(C)(C)S(....
80	1BIL	ic50 = 0.5 nM	0IU	C34 H53 N5 O5 S	NULL
81	3KM4	ic50 = 1.3 nM	22X	C28 H45 Cl N4 O3	CC(=O)NCCC....
82	2G24	-	7IG	C19 H19 F2 N5	CCc1c(c(nc....
83	2IL2	Kd = 79 nM	LIX	C32 H38 N6 O5 S	CCc1c(c(nc....
84	5SY3	ic50 = 43 uM	74Z	C15 H15 N3 O S	c1cc(oc1)C....
85	4Q1N	ic50 = 0.2 nM	2Y9	C26 H42 N4 O4	CCOC[C@@H]....
86	2I4Q	ic50 = 0.007 uM	UA4	C25 H27 F2 N5 O3	CCc1c(c(nc....
87	2BKS	ic50 = 37 nM	PZ1	C34 H41 N3 O6	COc1ccccc1....
88	4S1G	Ki = 0.6 nM	43T	C24 H29 F N4 O2	C[C@@H](c1....
89	4XX3	Ki = 56 nM	70X	C23 H28 N4 O2	[H]/N=C1/N....
90	2G1S	-	4IG	C24 H25 F2 N5 O3	CCc1c(c(nc....
91	2G20	-	L1A	C33 H50 N6 O7 S2	CC(C)C[C@@....
92	5SXN	ic50 = 11 uM	74U	C19 H15 N3 O	c1ccc(cc1)....
93	3G70	ic50 = 0.4 nM	A5T	C33 H32 Cl3 F2 N3 O2	c1cc(c(c(c....
94	2G1Y	-	5IG	C20 H27 N5 O3	CCc1c(c(nc....
95	2G1R	-	3IG	C20 H26 N6 O3	CCc1c(c(nc....
96	4GJC	ic50 = 0.09 uM	0MJ	C27 H29 N3 O4 S	Cc1ccc(cc1....
97	4GJ8	-	0LW	C20 H23 N O S	c1ccc2c(c1....
98	5SY2	ic50 = 11 uM	74V	C18 H25 N5 O2	CCN([C@H]1....
99	5KOS	ic50 = 1.5 nM	6VS	C27 H46 N6 O4	CC(C)CN([C....
100	3G72	ic50 = 0.8 nM	A6T	C33 H32 Cl3 F2 N3 O2	c1cc(c(c(c....
101	3G6Z	ic50 = 0.2 nM	A7T	C35 H39 Cl2 N3 O3	Cc1cccc(c1....
102	3GW5	ic50 = 0.47 nM	72X	C28 H46 Cl N3 O3	CNC[C@H](C....
103	3SFC	ic50 = 0.003 uM	S53	C32 H29 F N4 O2	Cc1ccc(cc1....
104	2IKO	Kd = 3571 nM	7IG	C19 H19 F2 N5	CCc1c(c(nc....
105	3K1W	-	BFX	C31 H31 Br Cl F N2 O2	c1ccc(c(c1....
106	4XX4	Ki = 44 nM	70Y	C25 H30 N4 O2	[H]/N=C1/N....
107	2FS4	ic50 = 37 nM	PZ1	C34 H41 N3 O6	COc1ccccc1....
108	2BKT	ic50 = 23 nM	RPF	C31 H37 N3 O5	COc1ccccc1....
109	4GJ5	-	0LR	C22 H23 N O	c1ccc(cc1)....
110	2G22	-	6IG	C27 H35 N5 O	CCc1c(c(nc....
111	1RNE	ic50 = 2 nM	C60	C39 H63 N5 O6 S	CCCCNC(=O)....
112	2G26	-	3LG	C32 H35 N3 O7	COc1ccccc1....
113	4Y6M	-	48Q	C39 H52 N4 O4	CCCN(CCC)C....
114	5YIE	Ki = 5.6 nM	8VF	C39 H51 N5 O6 S	CCN(CCN)c1....
115	5YID	Ki = 4 nM	K95	C37 H44 N4 O6 S2	CC1([C@H](....
116	2IGX	-	A1T	C41 H49 N5 O2	CCCCCc1ccc....
117	5YIC	Ki = 1.3 nM	8VO	C37 H45 N5 O6 S2	CC1([C@H](....
118	4CKU	ic50 = 0.15 uM	P2F	C38 H52 N4 O6 S	CCCN(CCC)C....
119	1XDH	-	IVA VAL VAL STA ALA STA	n/a	n/a
120	1LF2	-	R37	C32 H41 N3 O4	Cc1cccc(c1....
121	5YIB	Ki = 3.3 nM	8VC	C40 H53 N5 O6 S	Cc1cc(cc(c....
122	1LEE	-	R36	C32 H41 N3 O4	Cc1cccc(c1....
123	5YIA	Ki = 3 nM	8V9	C37 H44 N4 O7 S2	CC1([C@H](....
124	1XE5	-	5FE	C29 H47 F6 N5 O9	C[C@@H](C(....
125	5RBV	-	RQD	C10 H12 F N O2	COC(=O)[C@....
126	5RCG	-	REG	C11 H20 N2 O2	C1CCC(C1)N....
127	5R1U	-	T9G	C9 H13 N O	CC[C@H](c1....
128	5RC3	-	RAY	C11 H14 F N O3	COCCOCC(=O....
129	5R21	-	R9Y	C11 H16 N2	CN1CCCc2c1....
130	5RCE	-	RE4	C11 H13 N5	Cc1cc(nc(n....
131	5RBS	-	R8V	C9 H9 N O2	CN1[C@H](c....
132	5RBU	-	R97	C10 H10 N2 S	Cc1csc(n1)....
133	5R2C	-	RE4	C11 H13 N5	Cc1cc(nc(n....
134	5R20	-	R9V	C14 H19 N O	c1ccc(cc1)....
135	5RCC	-	RDV	C12 H22 N2 O	C1CCC(C1)C....
136	5RC4	-	RB7	C11 H16 Br N O2 S	Cc1cc(ccc1....
137	5R25	-	RBJ	C8 H11 N O	CNCc1ccc(c....
138	5HCT	Ki = 0.0254 uM	61P	C30 H30 N8 O2	c1ccc2c(c1....
139	5R1W	-	R8Y	C10 H13 N O3 S	CCN(CCC(=O....
140	5R23	-	RAY	C11 H14 F N O3	COCCOCC(=O....
141	5RC5	-	RBG	C10 H20 N2 O	CC(C)(C)NC....
142	5RCB	-	RDM	C12 H15 N O3	CC(=O)N[C@....
143	5RC6	-	RBJ	C8 H11 N O	CNCc1ccc(c....
144	5RBQ	-	R8P	C8 H9 N O3	C[C@@H](c1....
145	5R1V	-	R8S	C5 H8 N4 O	COc1ccnc(n....
146	5R1Z	-	R9M	C6 H7 N O2 S	c1csc(n1)C....
147	5R2B	-	RDY	C12 H15 N O4	C[C@@H](C(....
148	5RC7	-	AES	C8 H10 F N O2 S	c1cc(ccc1C....
149	5RBO	-	R8A	C6 H8 N2 O	c1cc(c(nc1....
150	5R26	-	RCV	C10 H13 N O3	COC(=O)COc....
151	5R1Y	-	R9J	C11 H15 N O2	Cc1ccc(cc1....
152	5RBZ	-	R9S	C9 H11 N O	Cc1ccccc1C....
153	5R1X	-	RQD	C10 H12 F N O2	COC(=O)[C@....
154	5RC8	-	RCV	C10 H13 N O3	COC(=O)COc....
155	5RC9	-	RD4	C9 H12 N2 O	[H]/N=C(c1....
156	5RBY	-	R9M	C6 H7 N O2 S	c1csc(n1)C....
157	5RCF	-	RE7	C13 H16 F N3	C[C@H](c1c....
158	5R24	-	RB7	C11 H16 Br N O2 S	Cc1cc(ccc1....
159	5R28	-	RDJ	C9 H15 N3 O2 S	CCNC(=O)CS....
160	5RBT	-	RA7	C8 H12 N2 O2 S	c1c(sc(n1)....
161	5RCD	-	RDY	C12 H15 N O4	C[C@@H](C(....
162	5RBR	-	R8S	C5 H8 N4 O	COc1ccnc(n....
163	5R2D	-	REG	C11 H20 N2 O2	C1CCC(C1)N....
164	5RC0	-	R9V	C14 H19 N O	c1ccc(cc1)....
165	5R29	-	RDM	C12 H15 N O3	CC(=O)N[C@....
166	5R1T	-	R8A	C6 H8 N2 O	c1cc(c(nc1....
167	5R2A	-	RDV	C12 H22 N2 O	C1CCC(C1)C....
168	5R27	-	RD4	C9 H12 N2 O	[H]/N=C(c1....
169	5RBX	-	R9J	C11 H15 N O2	Cc1ccc(cc1....
170	5RC1	-	R9Y	C11 H16 N2	CN1CCCc2c1....
171	5RCA	-	RDJ	C9 H15 N3 O2 S	CCNC(=O)CS....
172	5R22	-	RA7	C8 H12 N2 O2 S	c1c(sc(n1)....
173	5RC2	-	R8Y	C10 H13 N O3 S	CCN(CCC(=O....
174	5RBW	-	R9G	C12 H15 N O2	COc1cccc(c....
175	5RBP	-	SYG	C9 H13 N O	CC[C@@H](c....
176	1PPM	Ki = 1600 nM	0P1	C29 H40 N3 O9 P	C[C@@H](C(....
177	2WED	Ki = 0.8 uM	PP6	C29 H32 N2 O7 P	CC(C)[C@H]....
178	1APU	Ki = 1.6 nM	IVA VAL VAL 32L	n/a	n/a
179	2WEC	Ki = 110 uM	PP5	C28 H32 N2 O7 P	CC(C)[C@@H....
180	1APW	Ki = 10 nM	IVA VAL VAL DFI NME	n/a	n/a
181	1PPL	Ki = 2.8 nM	1Z7	C30 H50 N3 O8 P	CC(C)C[C@H....
182	2WEB	Ki = 7.6 uM	PP4	C28 H32 N2 O7 P	CC(C)[C@@H....
183	2WEA	-	PP6	C29 H32 N2 O7 P	CC(C)[C@H]....
184	1BXO	Ki = 0.1 nM	PP7	C30 H47 N4 O9 P	CC(C)C[C@@....
185	1APT	-	IVA VAL VAL LTA	n/a	n/a
186	1PPK	Ki = 22 nM	IVV	C24 H46 N3 O7 P	CCOC(=O)C[....
187	1BXQ	Ki = 42 nM	PP8	C29 H47 N4 O9 P	CC(C)C[C@H....
188	1APV	Ki = 1 nM	IVA VAL VAL DFO NME	n/a	n/a
189	1SMR	-	PIV HIS PRO PHE HIS LPL TYR TYR SER	n/a	n/a
190	1QRP	-	HH0	C36 H60 N5 O10 P	C[C@@H](C(....
191	1PSO	-	IVA VAL VAL STA ALA STA	n/a	n/a
192	2QZX	ic50 = 6 nM	IVA VAL VAL STA ALA STA	n/a	n/a
193	2JXR	Ki = 90 nM	2Z3	C32 H49 F2 N5 O7	NULL
194	1FQ5	Ki = 4 nM	0GM	C51 H61 N5 O6	CC(C)C[C@H....
195	1QS8	-	IVA VAL VAL STA ALA STA	n/a	n/a
196	1ZAP	Ki = 0.17 nM	A70	C42 H70 N6 O5	CCCC[C@@H]....
197	1IZE	-	IVA VAL VAL STA ALA STA	n/a	n/a
198	1WKR	-	IVA VAL VAL STA ALA STA	n/a	n/a
199	5N7Q	-	IVA VAL VAL STA ALA STA	n/a	n/a
200	5N70	Kd ~ 3 nM	ALA PHE ARG ILE PRO LEU THR ARG	n/a	n/a
201	3EMY	-	IVA VAL VAL STA ALA STA	n/a	n/a
202	2H6T	Ki = 60 nM	IVA VAL VAL STA ALA STA	n/a	n/a
203	3FV3	Ki = 0.3 nM	IVA VAL VAL STA ALA STA	n/a	n/a
204	3QVI	-	K95	C37 H44 N4 O6 S2	CC1([C@H](....
205	3APR	-	DHI PRO PHE HIS PUK VAL TYR	n/a	n/a
206	6APR	Ki < 17 nM	IVA VAL VAL STA ALA STA	n/a	n/a
207	5APR	Ki < 17 nM	HIS PRO PHE CYS STA LEU PHE DHL	n/a	n/a
208	4APR	Ki = 200 nM	IVA HIS PRO PHE HIS STA LEU PHE	n/a	n/a
209	1CZI	-	PRO PHI SMC NOR	n/a	n/a

Polypharmacology

Similar Ligands (2D)

Ligand no: 1; Ligand: R9Y; Similar ligands found: 2

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	R9Y	1	1
2	UFO	0.423077	0.829268

Similar Ligands (3D)

Ligand no: 1; Ligand: R9Y; Similar ligands found: 1114

No:	Ligand	Similarity coefficient
1	MRW	0.9709
2	KDV	0.9667
3	A7W	0.9667
4	8W9	0.9649
5	N8Y	0.9633
6	SYV	0.9614
7	DIN	0.9609
8	8ZE	0.9608
9	JND	0.9605
10	N2I	0.9564
11	GNM	0.9516
12	7ME	0.9507
13	1M2	0.9507
14	2BG	0.9504
15	XIY	0.9498
16	BCU	0.9485
17	KT7	0.9480
18	4MU	0.9468
19	E7S	0.9460
20	ES5	0.9458
21	2EC	0.9455
22	8WT	0.9451
23	H42	0.9447
24	JB5	0.9441
25	4FS	0.9437
26	J6W	0.9436
27	KUF	0.9436
28	2AQ	0.9433
29	03V	0.9430
30	9ZE	0.9419
31	CWS	0.9418
32	APZ	0.9418
33	KJU	0.9418
34	F9Y	0.9414
35	3R6	0.9411
36	SLS	0.9411
37	J9T	0.9411
38	6RQ	0.9409
39	OCH	0.9405
40	3Z8	0.9403
41	AJV	0.9395
42	COU	0.9393
43	MS9	0.9382
44	GJP	0.9379
45	4YO	0.9373
46	HBO	0.9370
47	069	0.9369
48	KTW	0.9366
49	8TX	0.9365
50	15N	0.9365
51	IV2	0.9364
52	C9E	0.9362
53	PH2	0.9351
54	2HQ	0.9351
55	HHR	0.9351
56	0P6	0.9350
57	URC	0.9348
58	6FZ	0.9348
59	5GU	0.9347
60	JP2	0.9346
61	V1T	0.9344
62	27B	0.9338
63	4JQ	0.9336
64	VXX	0.9336
65	XQ0	0.9334
66	CLZ	0.9333
67	0TU	0.9333
68	XAZ	0.9333
69	SRO	0.9332
70	5RO	0.9330
71	6VD	0.9329
72	0FK	0.9326
73	JG8	0.9325
74	MR1	0.9325
75	DOB	0.9324
76	FA0	0.9322
77	5TY	0.9321
78	4M0	0.9320
79	BHA	0.9318
80	TSS	0.9318
81	N2M	0.9316
82	BTY	0.9311
83	8CM	0.9309
84	PNZ	0.9307
85	8NX	0.9306
86	1KP	0.9305
87	8IG	0.9305
88	DEE	0.9303
89	5OB	0.9297
90	0W1	0.9294
91	BZ2	0.9294
92	SG2	0.9294
93	ICB	0.9293
94	JTH	0.9293
95	QX4	0.9292
96	MQN	0.9291
97	BK9	0.9291
98	ARP	0.9289
99	ESP	0.9288
100	LDP	0.9288
101	ABV	0.9286
102	5NU	0.9285
103	0HN	0.9285
104	TTL	0.9281
105	9R5	0.9280
106	EUG	0.9280
107	ES2	0.9278
108	5CU	0.9277
109	1HN	0.9275
110	JDN	0.9273
111	428	0.9273
112	1F1	0.9272
113	CWJ	0.9271
114	BGC	0.9271
115	CLW	0.9269
116	1P8	0.9269
117	3A9	0.9269
118	ET2	0.9268
119	A29	0.9267
120	ESX	0.9266
121	PXL	0.9266
122	AEH	0.9265
123	I3A	0.9263
124	BPN	0.9262
125	JB8	0.9259
126	N1E	0.9259
127	AX7	0.9257
128	5WV	0.9255
129	EXD	0.9253
130	94W	0.9247
131	3VX	0.9247
132	APS	0.9245
133	KYA	0.9242
134	IAC	0.9240
135	5WU	0.9239
136	5XC	0.9239
137	0FN	0.9238
138	QBM	0.9236
139	68A	0.9234
140	EGR	0.9234
141	HA5	0.9232
142	0JD	0.9231
143	0XT	0.9230
144	2D0	0.9229
145	1A7	0.9229
146	NIZ	0.9225
147	2MI	0.9223
148	4NM	0.9223
149	BZJ	0.9222
150	CWM	0.9221
151	1P7	0.9220
152	4BZ	0.9219
153	E5X	0.9219
154	AX3	0.9217
155	5NI	0.9216
156	9CA	0.9215
157	E35	0.9215
158	4Z4	0.9212
159	7W1	0.9210
160	JA8	0.9209
161	B57	0.9209
162	6NT	0.9208
163	VGD	0.9207
164	4AA	0.9205
165	HQJ	0.9204
166	8HC	0.9203
167	DQU	0.9202
168	ESI	0.9200
169	ES7	0.9198
170	9FL	0.9198
171	12T	0.9198
172	6QF	0.9197
173	7W4	0.9197
174	5QY	0.9197
175	4HM	0.9197
176	7HQ	0.9194
177	0HO	0.9194
178	ES0	0.9193
179	X0U	0.9192
180	SWA	0.9192
181	GLC	0.9192
182	39O	0.9191
183	7MU	0.9191
184	BZ3	0.9191
185	FBB	0.9190
186	4XV	0.9190
187	4RU	0.9188
188	KJH	0.9187
189	SKA	0.9185
190	Q88	0.9184
191	AJY	0.9183
192	3R4	0.9182
193	4BL	0.9181
194	15E	0.9180
195	DPZ	0.9177
196	RNO	0.9174
197	E7Z	0.9174
198	G3F	0.9171
199	5VM	0.9170
200	5B1	0.9168
201	61M	0.9167
202	GCS	0.9167
203	92P	0.9166
204	2ZM	0.9165
205	75K	0.9165
206	K3Q	0.9165
207	EVF	0.9164
208	EOL	0.9164
209	JAW	0.9164
210	GO8	0.9163
211	B55	0.9162
212	NAG	0.9160
213	EV0	0.9159
214	4ME	0.9158
215	E1T	0.9157
216	I1E	0.9156
217	P92	0.9156
218	TOF	0.9155
219	EN1	0.9155
220	JAE	0.9154
221	BHO	0.9154
222	D8Q	0.9153
223	36E	0.9152
224	12Q	0.9151
225	BEA	0.9150
226	ISN	0.9150
227	OA3	0.9150
228	NOJ	0.9149
229	2FY	0.9147
230	11S	0.9147
231	SKF	0.9146
232	H4N	0.9146
233	K2T	0.9145
234	MEW	0.9145
235	3IT	0.9144
236	270	0.9143
237	PQ0	0.9143
238	5QX	0.9143
239	3NY	0.9143
240	L5V	0.9143
241	SHA	0.9140
242	86J	0.9139
243	FK1	0.9138
244	ES9	0.9138
245	F0J	0.9138
246	ISZ	0.9138
247	LYL	0.9138
248	209	0.9135
249	M6N	0.9135
250	H33	0.9134
251	0FO	0.9132
252	4JT	0.9132
253	SNO	0.9132
254	M1Q	0.9131
255	M1Z	0.9131
256	H7Y	0.9130
257	717	0.9130
258	TSR	0.9129
259	TGX	0.9129
260	GO2	0.9126
261	BQ2	0.9125
262	ANN	0.9124
263	HHS	0.9123
264	V55	0.9118
265	259	0.9118
266	Z82	0.9118
267	2JK	0.9117
268	344	0.9115
269	3PF	0.9114
270	N3W	0.9113
271	DNF	0.9113
272	8NY	0.9113
273	M5K	0.9112
274	KKN	0.9112
275	MUA	0.9111
276	EMZ	0.9111
277	FDR	0.9110
278	6NI	0.9109
279	FDB	0.9107
280	Q24	0.9107
281	INE	0.9106
282	CTL	0.9106
283	8WO	0.9106
284	MAJ	0.9105
285	D48	0.9105
286	SXS	0.9105
287	4XS	0.9104
288	PRF	0.9103
289	GZL	0.9103
290	VOH	0.9102
291	GCU	0.9102
292	BPU	0.9101
293	HKD	0.9101
294	3QV	0.9099
295	NDH	0.9099
296	0F9	0.9099
297	BNF	0.9099
298	N5J	0.9097
299	5JL	0.9097
300	MWP	0.9097
301	GDE	0.9096
302	PE0	0.9096
303	5SG	0.9095
304	4HC	0.9095
305	36R	0.9094
306	I3E	0.9093
307	92K	0.9093
308	NPO	0.9093
309	GC3	0.9092
310	97T	0.9091
311	M4E	0.9090
312	GTQ	0.9090
313	PHB	0.9090
314	CFI	0.9088
315	5MI	0.9087
316	4WL	0.9087
317	2A9	0.9086
318	1NP	0.9086
319	1LM	0.9086
320	GZ8	0.9085
321	S7G	0.9084
322	1LQ	0.9084
323	82I	0.9084
324	R20	0.9084
325	1SQ	0.9080
326	AQO	0.9080
327	5MB	0.9080
328	CXH	0.9079
329	AY4	0.9079
330	7B4	0.9079
331	24W	0.9078
332	MO8	0.9077
333	ASC	0.9075
334	F4E	0.9075
335	M2K	0.9074
336	O72	0.9074
337	2LY	0.9074
338	B62	0.9074
339	54G	0.9074
340	42A	0.9073
341	174	0.9073
342	5IQ	0.9070
343	KOJ	0.9070
344	ANC	0.9069
345	J9Q	0.9068
346	GAL	0.9068
347	JYB	0.9067
348	DK1	0.9067
349	C2Y	0.9067
350	J9W	0.9067
351	4BY	0.9067
352	6KT	0.9066
353	4YS	0.9066
354	HQY	0.9066
355	VNL	0.9066
356	7VS	0.9066
357	8S0	0.9066
358	2AL	0.9065
359	FBM	0.9063
360	GHM	0.9062
361	TH7	0.9062
362	AZ8	0.9061
363	SYA	0.9061
364	ONR	0.9060
365	CN0	0.9060
366	SOR	0.9059
367	ES1	0.9058
368	JBH	0.9058
369	HMH	0.9058
370	N91	0.9057
371	BZX	0.9057
372	JPZ	0.9055
373	1IT	0.9055
374	RM1	0.9055
375	INO	0.9054
376	7MX	0.9052
377	JF2	0.9052
378	FF2	0.9051
379	G3E	0.9051
380	173	0.9050
381	3ZB	0.9050
382	O2A	0.9049
383	5M0	0.9048
384	N7I	0.9048
385	5Q0	0.9047
386	ABI	0.9047
387	ALE	0.9046
388	AJ2	0.9046
389	XDE	0.9046
390	2O6	0.9045
391	LNR	0.9045
392	4ZA	0.9044
393	F1A	0.9042
394	A7H	0.9042
395	5JQ	0.9042
396	ICO	0.9042
397	4M4	0.9041
398	XM0	0.9040
399	BDI	0.9039
400	F60	0.9039
401	8NB	0.9038
402	5H1	0.9038
403	AN3	0.9038
404	5RN	0.9038
405	LT2	0.9038
406	14O	0.9036
407	UNJ	0.9035
408	4P5	0.9035
409	DHK	0.9035
410	9FE	0.9033
411	IWT	0.9033
412	SQ7	0.9032
413	3MG	0.9032
414	FUD	0.9031
415	Q71	0.9030
416	IOS	0.9028
417	5MK	0.9028
418	HQT	0.9027
419	PPY	0.9027
420	23J	0.9027
421	PBZ	0.9025
422	44W	0.9024
423	TXW	0.9023
424	AMH	0.9022
425	JU2	0.9022
426	EVA	0.9022
427	1DW	0.9021
428	OTW	0.9020
429	93K	0.9020
430	2KA	0.9019
431	4MA	0.9018
432	JTA	0.9018
433	1L5	0.9018
434	PBA	0.9018
435	XHP	0.9016
436	LZM	0.9016
437	GM7	0.9016
438	PAB	0.9016
439	EYV	0.9016
440	GJS	0.9015
441	YTX	0.9015
442	KMY	0.9014
443	SE2	0.9013
444	NPA	0.9013
445	2CZ	0.9012
446	SX1	0.9012
447	4KL	0.9011
448	4V2	0.9010
449	8XL	0.9009
450	SQ4	0.9008
451	DX3	0.9008
452	2H5	0.9008
453	M1H	0.9007
454	M0Q	0.9007
455	R8V	0.9007
456	0W8	0.9007
457	L14	0.9005
458	HX4	0.9005
459	QAS	0.9004
460	XQI	0.9004
461	6AI	0.9004
462	IFL	0.9003
463	GNV	0.9003
464	CFF	0.9003
465	DRG	0.9003
466	IPB	0.9003
467	QAT	0.9002
468	2K4	0.9001
469	FLV	0.9000
470	G2F	0.9000
471	DHB	0.8999
472	CK2	0.8998
473	BPY	0.8998
474	9TW	0.8998
475	1Y6	0.8996
476	LGC	0.8996
477	PEY	0.8994
478	J9N	0.8993
479	ZHA	0.8991
480	9TZ	0.8991
481	5RG	0.8990
482	UAN	0.8990
483	DHC	0.8990
484	DNA	0.8988
485	F31	0.8988
486	NOY	0.8986
487	2K8	0.8986
488	EA1	0.8984
489	PYQ	0.8982
490	M0W	0.8982
491	ASO	0.8981
492	J5I	0.8981
493	LQ2	0.8981
494	JF1	0.8980
495	3HA	0.8980
496	3WA	0.8980
497	PZI	0.8980
498	6TZ	0.8979
499	NDM	0.8979
500	AC6	0.8979
501	TT4	0.8979
502	TTY	0.8976
503	BGU	0.8975
504	2HU	0.8975
505	44V	0.8975
506	GCB	0.8974
507	GDL	0.8973
508	BIK	0.8972
509	4XH	0.8972
510	NGO	0.8972
511	6ME	0.8972
512	6Q3	0.8971
513	H5B	0.8971
514	293	0.8971
515	ZME	0.8971
516	ADZ	0.8970
517	NDG	0.8968
518	4XF	0.8967
519	TWO	0.8966
520	E7R	0.8965
521	TZF	0.8964
522	NLA	0.8964
523	5WT	0.8964
524	S60	0.8963
525	L99	0.8963
526	OW4	0.8961
527	226	0.8961
528	2HO	0.8961
529	ODO	0.8961
530	SKM	0.8961
531	B5D	0.8960
532	7WR	0.8960
533	NBG	0.8960
534	P72	0.8958
535	KJY	0.8958
536	1QP	0.8957
537	L22	0.8957
538	QSH	0.8956
539	K22	0.8955
540	HX3	0.8954
541	NYL	0.8953
542	6HP	0.8953
543	M6Z	0.8952
544	DBH	0.8951
545	BDP	0.8950
546	ANF	0.8950
547	54X	0.8949
548	JLZ	0.8949
549	4R1	0.8948
550	TAG	0.8947
551	JFJ	0.8947
552	YRL	0.8944
553	826	0.8943
554	0NX	0.8943
555	HBD	0.8943
556	GLT	0.8942
557	OVM	0.8942
558	ITE	0.8941
559	AZ9	0.8940
560	7B3	0.8940
561	M4T	0.8938
562	5OF	0.8938
563	PHU	0.8938
564	8XQ	0.8937
565	7VP	0.8935
566	G6P	0.8934
567	S0E	0.8934
568	MXD	0.8932
569	GVG	0.8930
570	HLZ	0.8929
571	F9P	0.8929
572	JXZ	0.8927
573	AHR	0.8927
574	57O	0.8927
575	JBQ	0.8926
576	CH9	0.8926
577	4TU	0.8925
578	3M0	0.8925
579	2FX	0.8924
580	MVN	0.8924
581	MSR	0.8924
582	F2W	0.8924
583	NNO	0.8923
584	DBJ	0.8923
585	549	0.8923
586	PHE	0.8923
587	45L	0.8923
588	GLA	0.8923
589	ORO	0.8923
590	HH8	0.8922
591	Z5P	0.8922
592	AH9	0.8922
593	GNY	0.8921
594	LCN	0.8921
595	5GT	0.8920
596	7I2	0.8919
597	ZYQ	0.8918
598	I6G	0.8917
599	8GK	0.8915
600	EUE	0.8913
601	OMD	0.8912
602	4NB	0.8909
603	GOJ	0.8908
604	GXY	0.8907
605	X11	0.8906
606	G4D	0.8906
607	2AK	0.8906
608	6CS	0.8906
609	42J	0.8903
610	PFB	0.8901
611	K37	0.8900
612	36M	0.8900
613	PJW	0.8899
614	4A5	0.8899
615	GIV	0.8899
616	MB1	0.8895
617	B60	0.8895
618	4FH	0.8894
619	DRL	0.8893
620	NQ	0.8893
621	HDH	0.8893
622	M1E	0.8893
623	BZE	0.8892
624	3F0	0.8892
625	DGJ	0.8892
626	67N	0.8891
627	KLK	0.8891
628	SHG	0.8891
629	K32	0.8890
630	TSU	0.8890
631	VK3	0.8889
632	KBG	0.8888
633	QBK	0.8885
634	JXN	0.8885
635	ROI	0.8885
636	4J8	0.8884
637	5VL	0.8884
638	DE5	0.8884
639	3RI	0.8883
640	N2Z	0.8883
641	OW7	0.8883
642	SNU	0.8881
643	AES	0.8881
644	9AP	0.8880
645	FYU	0.8877
646	CIY	0.8877
647	4Z3	0.8877
648	HQD	0.8877
649	FHC	0.8877
650	S7J	0.8876
651	3DO	0.8875
652	FGZ	0.8875
653	3J8	0.8874
654	LKA	0.8874
655	CKA	0.8873
656	680	0.8873
657	P9E	0.8872
658	NCT	0.8871
659	0N7	0.8870
660	MT0	0.8870
661	KBZ	0.8868
662	FCR	0.8867
663	1U6	0.8865
664	3AE	0.8863
665	LDR	0.8863
666	OVP	0.8863
667	5WY	0.8862
668	AAN	0.8862
669	SN4	0.8862
670	OXC	0.8862
671	B21	0.8861
672	NOK	0.8859
673	B2J	0.8859
674	28N	0.8858
675	PO6	0.8857
676	495	0.8857
677	4NC	0.8855
678	JR2	0.8855
679	GF4	0.8853
680	DBX	0.8852
681	MYJ	0.8851
682	0BP	0.8850
683	LPK	0.8850
684	GAF	0.8850
685	5LA	0.8848
686	37T	0.8846
687	PIY	0.8845
688	JBK	0.8845
689	GTR	0.8845
690	4CS	0.8845
691	UNC	0.8844
692	RXA	0.8844
693	1QV	0.8844
694	30G	0.8844
695	HZQ	0.8843
696	M5H	0.8842
697	NPY	0.8841
698	G12	0.8841
699	PMP	0.8841
700	C2U	0.8841
701	P3K	0.8840
702	M1A	0.8839
703	261	0.8838
704	ZXD	0.8838
705	6X9	0.8837
706	X8Z	0.8837
707	SAN	0.8837
708	2HC	0.8837
709	AAS	0.8837
710	9MG	0.8837
711	QUZ	0.8836
712	P9P	0.8836
713	4XR	0.8836
714	258	0.8835
715	OTR	0.8835
716	4LW	0.8835
717	4NZ	0.8834
718	FBF	0.8834
719	FOT	0.8834
720	PRZ	0.8832
721	SOE	0.8832
722	QXW	0.8831
723	HNQ	0.8831
724	PIM	0.8831
725	795	0.8831
726	IL5	0.8831
727	FK8	0.8831
728	1XN	0.8830
729	KTJ	0.8829
730	4A3	0.8828
731	HDL	0.8828
732	RA7	0.8828
733	NVU	0.8827
734	B4O	0.8826
735	AA	0.8826
736	XX2	0.8826
737	DIU	0.8826
738	YH7	0.8825
739	CFA	0.8823
740	MAQ	0.8822
741	149	0.8822
742	F05	0.8821
743	F5C	0.8820
744	DMD	0.8819
745	DNC	0.8819
746	DOR	0.8819
747	ST3	0.8819
748	6M9	0.8818
749	3HM	0.8817
750	CCV	0.8817
751	ZZT	0.8816
752	FHB	0.8815
753	IF7	0.8815
754	BHQ	0.8814
755	P7Y	0.8814
756	NID	0.8813
757	YQA	0.8813
758	268	0.8813
759	2FG	0.8812
760	52C	0.8811
761	M3H	0.8811
762	3DM	0.8811
763	4I8	0.8811
764	R2P	0.8811
765	A5E	0.8810
766	FE DB1	0.8810
767	1XM	0.8809
768	X6X	0.8809
769	ZB1	0.8809
770	5NE	0.8809
771	FBS	0.8808
772	6AP	0.8808
773	FDK	0.8807
774	FP1	0.8806
775	BOA	0.8806
776	PXM	0.8806
777	GJZ	0.8806
778	GAB	0.8806
779	QIV	0.8804
780	BNT	0.8804
781	GSY	0.8804
782	XM5	0.8803
783	CSN	0.8802
784	TPA	0.8801
785	GZ2	0.8801
786	2ZQ	0.8801
787	PQK	0.8799
788	3HB	0.8797
789	N4E	0.8797
790	ADA	0.8794
791	3XX	0.8794
792	8OZ	0.8794
793	3NT	0.8794
794	7NI	0.8793
795	TIU	0.8793
796	BNL	0.8793
797	XFE	0.8793
798	505	0.8792
799	Q6T	0.8791
800	3C4	0.8791
801	28S	0.8790
802	6L6	0.8790
803	KGK	0.8790
804	EKZ	0.8789
805	P84	0.8788
806	QMS	0.8788
807	6FB	0.8788
808	THA	0.8785
809	463	0.8785
810	HRM	0.8784
811	SVN	0.8784
812	HPT	0.8780
813	2LP	0.8780
814	P80	0.8778
815	W81	0.8778
816	D07	0.8777
817	1GN	0.8776
818	4FA	0.8776
819	GXL	0.8776
820	PA1	0.8775
821	QSB	0.8775
822	MNM	0.8774
823	2CK	0.8772
824	SLC	0.8772
825	M78	0.8772
826	Y3L	0.8772
827	MD6	0.8771
828	IJZ	0.8771
829	PD2	0.8771
830	67X	0.8770
831	IFP	0.8770
832	IQ5	0.8770
833	QBS	0.8770
834	3ID	0.8769
835	X0V	0.8769
836	6GU	0.8769
837	K4V	0.8768
838	3Y7	0.8768
839	3N1	0.8768
840	XAN	0.8767
841	MBG	0.8767
842	7FF	0.8766
843	MAN	0.8766
844	TMG	0.8766
845	CR1	0.8765
846	Z13	0.8765
847	EYK	0.8765
848	KTA	0.8764
849	QWN	0.8764
850	TCA	0.8763
851	KBB	0.8762
852	BCP	0.8762
853	F12	0.8762
854	HSO	0.8761
855	TYL	0.8760
856	9EW	0.8760
857	15L	0.8760
858	3OC	0.8760
859	1XA	0.8759
860	D3G	0.8759
861	7ZE	0.8759
862	AZA	0.8758
863	0CU	0.8758
864	6ZW	0.8756
865	32X	0.8755
866	SYR	0.8755
867	6J9	0.8754
868	ENO	0.8754
869	0LH	0.8753
870	HHA	0.8750
871	0RW	0.8749
872	CHB	0.8749
873	1VK	0.8749
874	8U3	0.8748
875	FH2	0.8748
876	42C	0.8747
877	SAL	0.8747
878	3TC	0.8746
879	9DG	0.8746
880	OQC	0.8746
881	DHQ	0.8746
882	8H8	0.8744
883	PKU	0.8744
884	XCG	0.8744
885	K68	0.8741
886	CKU	0.8741
887	HPA	0.8741
888	XXP	0.8741
889	SYE	0.8740
890	ALL	0.8739
891	ZEC	0.8739
892	GUN	0.8738
893	3MB	0.8737
894	39A	0.8736
895	SWD	0.8736
896	HC4	0.8734
897	Q77	0.8734
898	AKH	0.8733
899	S7S	0.8733
900	FA3	0.8732
901	HJP	0.8731
902	4NO	0.8731
903	A2F	0.8730
904	PLP	0.8730
905	K5W	0.8729
906	YZM	0.8729
907	WOO	0.8728
908	5NS	0.8728
909	HPS	0.8727
910	PZM	0.8725
911	WCE	0.8725
912	T9G	0.8725
913	NBV	0.8724
914	6DP	0.8724
915	535	0.8724
916	FER	0.8723
917	D1X	0.8723
918	YPN	0.8722
919	H4B	0.8722
920	6R8	0.8721
921	IHB	0.8721
922	MUX	0.8718
923	4VY	0.8718
924	XIZ	0.8718
925	DHY	0.8717
926	AEF	0.8716
927	A13	0.8716
928	2QC	0.8714
929	FIX	0.8714
930	86L	0.8713
931	QPR	0.8712
932	55D	0.8711
933	091	0.8711
934	CPZ	0.8711
935	PAC	0.8711
936	TYR	0.8710
937	PHH	0.8709
938	PDC	0.8709
939	TFU	0.8707
940	HLR	0.8707
941	5WS	0.8707
942	LSA	0.8706
943	A5P	0.8706
944	BMA	0.8705
945	39U	0.8705
946	JKE	0.8705
947	34D	0.8705
948	4V6	0.8703
949	ES6	0.8702
950	RMN	0.8702
951	NSP	0.8702
952	FCD	0.8700
953	2GS	0.8699
954	ADE	0.8699
955	PFL	0.8699
956	AW5	0.8698
957	L7T	0.8698
958	DX4	0.8697
959	5WX	0.8697
960	OVV	0.8697
961	FA1	0.8697
962	FAN	0.8696
963	3U4	0.8690
964	B53	0.8690
965	KFH	0.8690
966	LIP	0.8689
967	AC2	0.8689
968	TIY	0.8688
969	10L	0.8688
970	MCO	0.8688
971	K25	0.8687
972	141	0.8686
973	GC2	0.8686
974	363	0.8685
975	IGA	0.8685
976	3TJ	0.8685
977	6M4	0.8683
978	ZWZ	0.8681
979	3Z7	0.8681
980	QMP	0.8681
981	1WC	0.8680
982	JXK	0.8677
983	0J5	0.8677
984	4ZC	0.8676
985	BE2	0.8675
986	6MP	0.8674
987	KG1	0.8674
988	BIO	0.8673
989	SR1	0.8673
990	YIO	0.8672
991	FRU	0.8671
992	BY5	0.8669
993	PRA	0.8668
994	E3D	0.8667
995	PBN	0.8666
996	NFM	0.8665
997	BTE	0.8665
998	KLV	0.8665
999	0FR	0.8665
1000	KIB	0.8664
1001	3FH	0.8664
1002	HMU	0.8664
1003	W8G	0.8663
1004	12B	0.8663
1005	3AB	0.8663
1006	9GP	0.8663
1007	4SV	0.8662
1008	SJ5	0.8662
1009	S8A	0.8662
1010	GLY PRO	0.8661
1011	MIG	0.8661
1012	PEA	0.8661
1013	UEG	0.8660
1014	MQB	0.8660
1015	IPD	0.8658
1016	K34	0.8656
1017	HH5	0.8655
1018	JBE	0.8654
1019	EQT	0.8653
1020	M45	0.8653
1021	S0G	0.8651
1022	GLO	0.8651
1023	7AP	0.8648
1024	R9S	0.8646
1025	HXX	0.8645
1026	AMR	0.8643
1027	GRE	0.8638
1028	06B	0.8637
1029	7HP	0.8636
1030	PQT	0.8635
1031	ZVO	0.8635
1032	BSX	0.8634
1033	RUY	0.8634
1034	NMJ	0.8634
1035	4LV	0.8634
1036	8G0	0.8629
1037	9KZ	0.8628
1038	GCO	0.8628
1039	HCI	0.8627
1040	DQA	0.8625
1041	FQI	0.8624
1042	KIA	0.8624
1043	BVA	0.8622
1044	2F6	0.8619
1045	TRP	0.8617
1046	LSQ	0.8610
1047	36Y	0.8610
1048	C53	0.8610
1049	G1P	0.8610
1050	7ZL	0.8609
1051	BGP	0.8609
1052	HBI	0.8605
1053	L46	0.8604
1054	RB5	0.8602
1055	LAO	0.8602
1056	HNT	0.8601
1057	8GC	0.8600
1058	DEW	0.8600
1059	ABF	0.8599
1060	9PY	0.8599
1061	2KU	0.8598
1062	S3C	0.8598
1063	6E8	0.8597
1064	EV2	0.8597
1065	7D2	0.8596
1066	GI3	0.8596
1067	2WU	0.8595
1068	CTS	0.8595
1069	14J	0.8594
1070	TQU	0.8593
1071	YSO	0.8593
1072	MFZ	0.8591
1073	E1K	0.8589
1074	53C	0.8589
1075	1X7	0.8588
1076	7A2	0.8587
1077	6F0	0.8586
1078	3BZ	0.8585
1079	PRY	0.8585
1080	X09	0.8584
1081	4NS	0.8584
1082	DIE	0.8583
1083	FBU	0.8582
1084	Q02	0.8580
1085	3AL	0.8578
1086	5GV	0.8578
1087	2GQ	0.8577
1088	JXW	0.8572
1089	3BU	0.8571
1090	B23	0.8569
1091	M5N	0.8568
1092	F6P	0.8565
1093	X0T	0.8561
1094	GT0	0.8559
1095	O2Y	0.8559
1096	NQH	0.8559
1097	CTE	0.8558
1098	VM1	0.8557
1099	RHU	0.8554
1100	6M1	0.8554
1101	657	0.8554
1102	IOP	0.8550
1103	2D3	0.8545
1104	AZM	0.8542
1105	27K	0.8540
1106	1AL	0.8540
1107	92G	0.8540
1108	977	0.8538
1109	S98	0.8535
1110	FBW	0.8534
1111	LZ2	0.8528
1112	N9J	0.8526
1113	PRL	0.8522
1114	XQK	0.8520

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

Pocket No.: 1; Query (leader) PDB : 5HCT; Ligand: 61P; 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: 5hct.bio1) has 80 residues
No:	Leader PDB	Ligand	Sequence Similarity

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