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Receptor

PDB id	Resolution	Class	Description	Source	Keywords
6ZN0	1.59 Å	EC: 2.7.1.37	CRYSTAL STRUCTURE OF CAMP-DEPENDENT PROTEIN KINASE A (CHO PK COMPLEX WITH ISONICOTINAMIDINE	CRICETULUS GRISEUS	PHOSPHOTRANSFERASE SIGNALLING PATHWAYS GLYCOGEN METABOLISMSERINE/THREONINE KINASE TRANSFERASE
Ref.:	FRAGMENT BINDING TO KINASE HINGE: IF CHARGE DISTRIB LOCAL PK A SHIFTS MISLEAD POPULAR BIOISOSTERISM CON ANGEW.CHEM.INT.ED.ENGL. V. 60 252 2021

Ligand

Ligand	Chain:Residue	Validity	Ligand Warnings	Binding Data	Molecular Weight (Da)	Formula	SMILES
MRD	A:401;	Invalid;	none;	submit data	118.174	C6 H14 O2	C[C@H...
NTN	A:404; A:405;	Valid; Valid;	none; none;	submit data	121.14	C6 H7 N3	c1cnc...
DMS	A:403; A:402;	Invalid; Invalid;	none; none;	submit data	78.133	C2 H6 O S	CS(=O...

View in 3D viewer

90% Homology Family

Leader

PDB id	Resolution	Class	Description	Source	Keywords
5IZF	2.1 Å	EC: 2.7.1.37	COMPLEX OF PKA WITH THE BISUBSTRATE PROTEIN KINASE INHIBITOR	HOMO SAPIENS	PROTEIN KINASE INHIBITOR BISUBSTRATE OLIGOARGININE PKA TRANSFERASE
Ref.:	BIFUNCTIONAL LIGANDS FOR INHIBITION OF TIGHT-BINDIN PROTEIN-PROTEIN INTERACTIONS. BIOCONJUG.CHEM. V. 27 1900 2016

Members (20)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 18 families.
1	1REK	Ki = 200 nM	B8L	C32 H36 N2 O7	CC[C@H](C)....
2	6SOX	-	LQ2	C8 H7 N O3	c1cc(ccc1C....
3	3BWJ	Kd = 0.319 uM	ARX	C28 H47 N15 O7	[H]/N=C(N)....
4	6SPS	-	LR5	C8 H6 F3 N O	c1cc(ccc1C....
5	6SPM	-	3AE	C8 H5 F3 O2	c1cc(ccc1C....
6	3AGL	Ki = 16 nM	A03	C37 H63 N17 O9	[H]/N=C(N)....
7	6SNX	-	UNU	C7 H7 N O	c1ccc(cc1)....
8	6ZN0	-	NTN	C6 H7 N3	c1cnccc1C(....
9	6SNN	-	BEZ	C7 H6 O2	c1ccc(cc1)....
10	1RE8	Ki = 0.3 nM	BD2	C27 H26 N2 O6	c1ccc(c(c1....
11	1SZM	ic50 = 2.94 uM	BI4	C27 H26 N4 O2	C[N@]1CCC[....
12	1REJ	Ki = 5 nM	B1L	C20 H22 N2 O5	c1cc(ccc1C....
13	6SPY	-	LR8	C10 H13 N3 O2	c1cc(ncc1C....
14	6Z08	-	NPO	C6 H5 N O3	c1cc(ccc1[....
15	5IZJ	-	6J9	C10 H13 N5	c1c[nH]c2c....
16	3AG9	Ki = 9 nM	A02	C40 H70 N18 O9	[H]/N=C(N)....
17	5IZF	Kd = 0.18 nM	6J9 AZ1 DAR ACA DAR NH2	n/a	n/a
18	6YPS	-	P72	C7 H8 N2 O	[H]/N=C(c1....
19	6Z44	-	IPH	C6 H6 O	c1ccc(cc1)....
20	6SPU	-	GAB	C7 H7 N O2	c1cc(cc(c1....

70% Homology Family (20)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 15 families.
1	1REK	Ki = 200 nM	B8L	C32 H36 N2 O7	CC[C@H](C)....
2	6SOX	-	LQ2	C8 H7 N O3	c1cc(ccc1C....
3	3BWJ	Kd = 0.319 uM	ARX	C28 H47 N15 O7	[H]/N=C(N)....
4	6SPS	-	LR5	C8 H6 F3 N O	c1cc(ccc1C....
5	6SPM	-	3AE	C8 H5 F3 O2	c1cc(ccc1C....
6	3AGL	Ki = 16 nM	A03	C37 H63 N17 O9	[H]/N=C(N)....
7	6SNX	-	UNU	C7 H7 N O	c1ccc(cc1)....
8	6ZN0	-	NTN	C6 H7 N3	c1cnccc1C(....
9	6SNN	-	BEZ	C7 H6 O2	c1ccc(cc1)....
10	1RE8	Ki = 0.3 nM	BD2	C27 H26 N2 O6	c1ccc(c(c1....
11	1SZM	ic50 = 2.94 uM	BI4	C27 H26 N4 O2	C[N@]1CCC[....
12	1REJ	Ki = 5 nM	B1L	C20 H22 N2 O5	c1cc(ccc1C....
13	6SPY	-	LR8	C10 H13 N3 O2	c1cc(ncc1C....
14	6Z08	-	NPO	C6 H5 N O3	c1cc(ccc1[....
15	5IZJ	-	6J9	C10 H13 N5	c1c[nH]c2c....
16	3AG9	Ki = 9 nM	A02	C40 H70 N18 O9	[H]/N=C(N)....
17	5IZF	Kd = 0.18 nM	6J9 AZ1 DAR ACA DAR NH2	n/a	n/a
18	6YPS	-	P72	C7 H8 N2 O	[H]/N=C(c1....
19	6Z44	-	IPH	C6 H6 O	c1ccc(cc1)....
20	6SPU	-	GAB	C7 H7 N O2	c1cc(cc(c1....

50% Homology Family (195)

No:	PDB id	Binding Data	Representative ligand	Formula	Smiles
The Class containing this family consists of a total of 70 families.
1	2YM8	ic50 = 0.013 uM	YM8	C19 H19 Cl N6 O	C[C@H](CN(....
2	5OPU	Ki = 0.053 uM	A3K	C15 H12 N4	Cc1cccc(c1....
3	5OP4	Ki = 0.194 uM	A0T	C19 H21 F4 N5 O3	CCNc1c(cnc....
4	2CGW	ic50 = 17.3 uM	3C3	C9 H15 N9 O2	CCCn1c(nc(....
5	3F9N	ic50 = 1.3 uM	38M	C29 H35 Cl N4 O2 S	CCCC[C@@H]....
6	4JIK	ic50 = 0.018 uM	1KO	C18 H19 Cl N6 O	c1cc(ccc1c....
7	4QYH	ic50 = 0.0013 uM	3DX	C22 H20 N6	CN1CCN(CC1....
8	2BRB	Ki = 13.7 uM	PFQ	C20 H17 N3 O2	c1ccc(cc1)....
9	3PA3	ic50 = 1 nM	C70	C18 H18 Cl N5 O S	c1cc(ccc1c....
10	5OQ6	Ki = 0.0277 uM	4K4	C31 H38 N8 O3	CN1CCN(CC1....
11	6FCF	ic50 = 0.006 uM	D58	C20 H22 N4 O S	C[C@@H]1[C....
12	2YER	ic50 = 0.02 uM	TQ1	C15 H12 N4 O2	c1cc([nH]c....
13	2E9O	ic50 = 20 nM	A58	C25 H27 N3 O2	CC1CCC(CC1....
14	5OPB	Ki = 0.0241 uM	A1N	C21 H25 N5 O2	C[C@@H]1CN....
15	2WMQ	-	ZYQ	C9 H11 N3 O2 S	CC(=O)Nc1n....
16	2BRO	ic50 = 1.4 uM	DF2	C21 H20 N4 O2	c1ccc(cc1)....
17	2QHN	ic50 = 980 nM	582	C13 H13 N3 O	CCN1c2cccc....
18	4RVM	ic50 = 1 nM	3X7	C23 H21 N5	c1cc(ccc1C....
19	5DLS	ic50 = 4.4 nM	5CV	C31 H34 N6 O3	CC(C)(CN(C....
20	3TKI	ic50 = 0.05 nM	S25	C20 H23 N7 O2 S	c1cnc(cc1N....
21	2YM5	ic50 = 0.43 uM	YM5	C18 H21 N5 O2	c1cc(cc(c1....
22	4HYH	ic50 = 1 nM	1AM	C22 H22 N6 O3 S	COc1ccc2c(....
23	5OPV	Ki = 0.0515 uM	A3H	C19 H16 N6	Cc1cccc(c1....
24	5OOT	Ki = 0.0285 uM	4K4	C31 H38 N8 O3	CN1CCN(CC1....
25	1NVS	Ki = 15 nM	UCM	C24 H15 N3 O3	c1ccc2c(c1....
26	2YDK	ic50 = 0.007 uM	YDK	C17 H20 N4 O2 S	c1ccc(cc1)....
27	3OT3	ic50 = 0.005 uM	22K	C16 H20 Br N7	Cn1cc(cn1)....
28	2HXQ	ic50 = 144 nM	373	C24 H26 N4 O	c1ccc2c(c1....
29	2QHM	ic50 = 660 nM	7CS	C16 H19 N3 O2	CN1[C@H]2C....
30	2BRH	ic50 = 22.9 uM	DFW	C20 H15 N3 O3	c1ccc(cc1)....
31	2R0U	ic50 = 1 nM	M54	C25 H22 N4 O2	c1cc(cc(c1....
32	1NVR	Ki = 7.8 nM	STU	C28 H26 N4 O3	C[C@@]12[C....
33	3OT8	ic50 = 0.009 uM	MI5	C19 H22 N8 S	Cc1cc(sn1)....
34	2YM4	ic50 = 1.5 uM	4YM	C21 H22 N6 O3	CCOC(=O)c1....
35	4HYI	ic50 = 3 nM	1AO	C21 H20 N6 O S	c1ccc2c(c1....
36	4RVL	ic50 = 41.7 nM	3XL	C17 H10 N4 O	c1ccc(c(c1....
37	5JQ5	Kd = 2341 nM	I74	C22 H30 N6 O	CC(C)c1cnn....
38	2C6O	-	4SP	C18 H22 N6 O3 S	c1cc(ccc1N....
39	1V1K	ic50 = 35 uM	3FP	C22 H23 F4 N5 O2	CN(C)C[C@H....
40	2VTJ	ic50 = 1.9 uM	LZ4	C10 H9 Cl N4 O2 S	c1cc(ccc1N....
41	3EZV	-	EZV	C25 H25 N7	CN1CCN(CC1....
42	3PXZ	Kd = 37 uM	2AN	C16 H13 N O3 S	c1ccc(cc1)....
43	1W0X	-	OLO	C15 H18 N6 O	Cn1cnc2c1n....
44	2XMY	Ki = 0.11 nM	CDK	C18 H21 N5 O4 S2	CC1=C(SC(=....
45	2UZO	ic50 = 27 uM	C62	C14 H10 N2 O5 S2	c1cc(ccc1c....
46	1KE7	ic50 = 8.9 nM	LS3	C20 H15 N3 O4 S	c1cc2c(cc1....
47	1DM2	-	HMD	C11 H10 Br N5 O2	C1CNC(=O)C....
48	1DI8	ic50 = 1 uM	DTQ	C16 H15 N3 O3	COc1cc2c(c....
49	5JQ8	-	I73	C22 H30 N6 O	CC(C)c1cnn....
50	6Q4H	-	HGH	C13 H11 N5 O3	c1cc(cc(c1....
51	1GIJ	-	2PU	C19 H22 N6 O2	c1cc2c(c(c....
52	2R3P	ic50 = 900 nM	3SC	C19 H12 Cl2 N6 S	c1cc(c(c(c....
53	1KE8	ic50 = 1000 nM	LS4	C18 H14 N4 O3 S2	c1ccc2c(c1....
54	2C6I	ic50 = 11 uM	DT1	C18 H22 N6 O3 S	c1cc(ccc1N....
55	1PXP	Ki = 0.22 uM	CK8	C17 H19 N5 S	Cc1c(sc(n1....
56	6Q3C	-	BYZ	C3 H3 Br N2	c1c(cn[nH]....
57	2UZN	ic50 = 0.03 uM	C96	C15 H13 N3 O4 S2	[H]/N=C/1N....
58	2B55	ic50 = 96 nM	D31	C24 H31 N5 O2	c1cc-2c(c(....
59	5K4J	-	6QB	C21 H18 Cl F N6 O2	Cn1c(ccn1)....
60	3PJ8	-	404	C19 H26 N6 O	CC[C@H](CO....
61	3LFQ	-	A28	C17 H15 F2 N3 O	CCCC(=O)Nc....
62	2W05	ic50 = 0.001 uM	FRT	C20 H26 N6 O3 S	Cc1ncc(n1C....
63	2XNB	Ki = 149 nM	Y8L	C19 H22 N6 O S	CC1=C(SC(=....
64	1HCK	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
65	5IEX	-	6AF	C17 H21 Br N4 O3 S	C[C@H]([C@....
66	2R3H	ic50 = 20000 nM	SCE	C13 H13 N5	Cc1cnc2n1c....
67	5LI9	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
68	3A8W	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
69	3OWL	ic50 = 0.67 uM	19E	C16 H11 Cl N2 O	Cc1cnc(c2c....
70	5OYF	-	B4Q	C25 H27 N3	CCc1ccccc1....
71	5H8G	Kd = 48.2 pM	5Y4	C23 H29 N9 O	CC(=O)Nc1c....
72	5OS7	-	A8Q	C16 H19 Cl N	CC(C)c1ccc....
73	6YPJ	-	P5W	C16 H12 N2 O2 S	c1ccc(cc1)....
74	5OTZ	Kd = 6.5 uM	AUT	C15 H15 Cl2 N	CCc1ccccc1....
75	6HOQ	-	FER	C10 H10 O4	COc1cc(ccc....
76	5OUM	-	AVK	C18 H18 Cl N3	c1ccc(cc1)....
77	5B0X	ic50 = 0.02 uM	HCK	C18 H14 N2 O4 S	COc1ccc(cc....
78	5MO8	Kd = 1.64 uM	C98	C26 H26 Cl N3 O4	c1ccc(cc1)....
79	6RCB	ic50 = 0.33 uM	JYZ	C17 H14 N2 O4	COc1cc(ccc....
80	3R1N	-	05B	C22 H21 N5 O3	c1cc2c(cc1....
81	3BWJ	Kd = 0.319 uM	ARX	C28 H47 N15 O7	[H]/N=C(N)....
82	6SPS	-	LR5	C8 H6 F3 N O	c1cc(ccc1C....
83	6SPM	-	3AE	C8 H5 F3 O2	c1cc(ccc1C....
84	3AGL	Ki = 16 nM	A03	C37 H63 N17 O9	[H]/N=C(N)....
85	6SNX	-	UNU	C7 H7 N O	c1ccc(cc1)....
86	6ZN0	-	NTN	C6 H7 N3	c1cnccc1C(....
87	6SNN	-	BEZ	C7 H6 O2	c1ccc(cc1)....
88	1RE8	Ki = 0.3 nM	BD2	C27 H26 N2 O6	c1ccc(c(c1....
89	1SZM	ic50 = 2.94 uM	BI4	C27 H26 N4 O2	C[N@]1CCC[....
90	1REJ	Ki = 5 nM	B1L	C20 H22 N2 O5	c1cc(ccc1C....
91	6SPY	-	LR8	C10 H13 N3 O2	c1cc(ncc1C....
92	6Z08	-	NPO	C6 H5 N O3	c1cc(ccc1[....
93	2Z7Q	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
94	1MQ4	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
95	6C2R	Ki = 0.8 nM	EG7	C24 H26 Cl F2 N5 O2	Cc1cc(n[nH....
96	5EW9	Ki < 0.01 nM	5VC	C22 H21 Cl F N3 O3 S	c1cc(nc(c1....
97	5ORY	Kd = 357 uM	AY4	C9 H6 F2 N2 O	c1c[nH]nc1....
98	4CEG	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
99	6VPH	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
100	5ORV	Kd = 1297 uM	A65	C6 H9 N O S3	CSc1c(c(sn....
101	5OS6	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
102	3DJ6	-	AK6	C25 H24 N4 O3 S	COc1ccc(cc....
103	5OSF	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
104	2WQE	-	ADP	C10 H15 N5 O10 P2	c1nc(c2c(n....
105	6CPF	-	ACP	C11 H18 N5 O12 P3	c1nc(c2c(n....
106	6R4C	-	JRQ	C16 H22 N2 O3	CCOC(=O)C[....
107	3FDN	ic50 = 0.033 uM	MMH	C21 H22 N6 O3	Cc1c(c([nH....
108	5OOI	-	9YE	C23 H25 N O3	CC(C)n1c2c....
109	7A1Z	ic50 = 3.38 uM	QWN	C5 H2 Br Cl N4	c1c2c(nc(c....
110	3KXH	-	K66	C11 H9 Br4 N3 O2	CN(C)c1nc2....
111	4DGM	ic50 = 1.2 uM	AGI	C15 H10 O5	c1cc(ccc1C....
112	3PVG	-	K68	C9 H4 Br4 N2 O2	c1nc2c(n1C....
113	1ZOG	Ki = 0.07 uM	K37	C8 H4 Br4 N2 S	CSc1[nH]c2....
114	2PVJ	Ki = 0.005 uM	P44	C19 H21 N7	c1ccc(cc1)....
115	1P4F	-	DRG	C12 H11 N3	c1ccc-2c(c....
116	4TXC	Kd = 0.24 uM	38G	C24 H27 N5 O3	CN(C)CCN[C....
117	2YAK	ic50 = 2 nM	OSV	C27 H31 F N4 O3 Ru S4	CC(C)Oc1cc....
118	5AUY	ic50 = 1.6 uM	MRI	C15 H10 O7	c1cc(c(cc1....
119	2HY0	ic50 = 0.65 nM	306	C26 H25 N5 O	c1cc2c(cc1....
120	5LVO	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
121	4XX9	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
122	2XCK	ic50 = 713 nM	MH4	C29 H33 N9 O	Cc1cc(ccn1....
123	3QD4	ic50 = 6.31 nM	3Q6	C22 H30 N8 O2	C[C@@H]1C[....
124	3RCJ	ic50 = 0.8 uM	3RC	C16 H13 N5	c1ccc(cc1)....
125	2PE0	-	39Z	C14 H12 N2 O2	CC(c1ccc[n....
126	4CT2	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
127	5ACK	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
128	3HRC	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
129	5LVM	-	ADE	C5 H5 N5	c1[nH]c2c(....
130	5MRD	ic50 = 36.4 uM	S26	C18 H13 Cl N2 O4 S2	CCOC(=O)C1....
131	3ION	ic50 = 8 nM	8H1	C28 H27 N5 O3	COc1cc2c3c....
132	1UU7	ic50 = 14 uM	BI2	C27 H26 N4 O2	C[N@@]1CCC....
133	3HRF	Kd = 10.3 uM	P47	C17 H15 Cl O2	c1ccc(cc1)....
134	3QCS	ic50 = 0.316 uM	3Q1	C15 H17 N7 O	c1cc2c(cc1....
135	1H1W	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
136	4AW1	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
137	2PE2	-	464	C28 H30 N6 O3	c1cc(cc(c1....
138	3H9O	ic50 = 70 nM	9BD	C19 H19 N5 O3	COCCOc1cc2....
139	3QD3	ic50 = 0.00000001 M	3Q5	C22 H30 N8 O2	C[C@H]1CC[....
140	1OKY	ic50 = 6.5 nM	STU	C28 H26 N4 O3	C[C@@]12[C....
141	3IOP	ic50 = 17 nM	8I1	C28 H27 N5 O3	COc1cc2c3c....
142	2PE1	ic50 = 6 nM	517	C15 H14 N4 O2	CC(c1ccc[n....
143	3RWP	Ki = 0.6 nM	ABQ	C24 H24 F N7 O2	CC(C)n1cc(....
144	3NAX	-	MP7	C28 H22 F2 N4 O4	c1ccc(cc1)....
145	3QCQ	ic50 = 0.158 uM	3Q0	C13 H15 N7	CCNc1cc(nc....
146	4A06	-	ATP	C10 H16 N5 O13 P3	c1nc(c2c(n....
147	2R5T	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
148	2JDO	ic50 = 0.23 uM	I5S	C20 H22 Cl N3 O3 S	c1cc2cnccc....
149	1O6K	-	GLY ARG PRO ARG THR THR SER PHE ALA GLU	n/a	n/a
150	3E88	Ki = 2 nM	G96	C24 H27 N7 O3	CCn1c2cc(n....
151	2UW9	-	GVP	C20 H20 Cl N3	c1cc(ccc1c....
152	2JDR	ic50 = 0.5 nM	L20	C24 H23 N5 O	Cc1c2cc(cc....
153	3D0E	ic50 = 13 nM	G93	C21 H27 N7 O3	CCn1c2c(cn....
154	3UBD	Kd = 2.9 uM	SL0	C25 H24 O12	CC1C(C(C(C....
155	4GUE	Kd = 5.8 uM	QCT	C21 H20 O11	C[C@H]1[C@....
156	3G51	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
157	4NUS	ic50 = 0.005 uM	2NK	C22 H21 F2 N3 O	CN1CCN(CC1....
158	4NW6	ic50 = 0.004 uM	2NS	C23 H20 N4 O4	COc1cc(cc(....
159	4NW5	ic50 = 0.02 uM	2NR	C23 H21 F N2 O5	COc1cccc(c....
160	2W7X	ic50 = 24 nM	D1A	C18 H17 N7 O3	[H]/N=C(N)....
161	4A9U	-	A9U	C27 H28 N4 O2	c1ccc(cc1)....
162	2YCF	ic50 = 0.03 nM	YCF	C19 H24 N10 O3	[H]/N=C(N/....
163	4BDI	ic50 = 227.7 uM	HAU	C14 H19 N3 O2	Cc1ccc(nc1....
164	2YCR	ic50 = 69.6 nM	HCW	C23 H28 N10 O	C/C(=NNC1=....
165	2WTJ	ic50 = 0.7 uM	WTJ	C16 H20 N4 O3 S	CN(C)CCNC(....
166	4BDB	ic50 = 85.6 uM	ODO	C8 H9 N O3	C/C(=NO)/c....
167	2YIT	ic50 = 0.29 nM	YIT	C21 H24 N6 O2	CCC/C(=NNC....
168	2W0J	ic50 = 240 nM	ZAT	C19 H24 N10 O	[H]/N=C(N)....
169	6CCY	ic50 = 0.003 uM	EX4	C29 H33 F4 N7 O	C[C@@H]1CC....
170	3QKK	-	SMH	C28 H38 N2 O7 S	CCOCCN(C[C....
171	6NPZ	-	GLY ARG PRO ARG THR THR ZXW PHE ALA GLU	n/a	n/a
172	4EKL	ic50 = 5 nM	0RF	C24 H32 Cl N5 O2	C[C@@H]1C[....
173	3CQW	ic50 = 42 nM	CQW	C12 H11 Cl N6	c1c(c2c([n....
174	4GV1	ic50 = 3 nM	0XZ	C21 H25 Cl N6 O2	c1cc(ccc1[....
175	3MVH	ic50 = 0.5 nM	WFE	C20 H22 F2 N6 O	CCc1c[nH]c....
176	3MV5	ic50 = 180 nM	XFE	C11 H15 N5	Cc1c[nH]c2....
177	3QKL	-	SMR	C29 H40 N4 O5 S	CCOCC[N@@]....
178	5OTF	-	AQ5	C20 H24 N6	c1cnc2c(c1....
179	3TKU	ic50 = 1.92 uM	M77	C14 H17 N3 O2 S	c1cc2cnccc....
180	3V8S	ic50 = 0.65 uM	0HD	C16 H16 N4 O	c1ccc(cc1)....
181	4OTH	ic50 = 9 nM	DRN	C25 H23 N5 O2 S	[H]/N=C(/N....
182	3A62	-	STU	C28 H26 N4 O3	C[C@@]12[C....
183	3WF9	ic50 = 567 nM	FS7	C24 H25 N3 O5 S	C[C@H]1CCc....
184	3WF8	ic50 = 232 nM	F76	C23 H23 N3 O5 S	c1ccc2c(c1....
185	4L3L	-	5FI	C19 H21 F3 N6	CCc1cncnc1....
186	3WE4	ic50 = 15 nM	5FI	C19 H21 F3 N6	CCc1cncnc1....
187	3WF5	ic50 = 81 nM	FZ8	C17 H17 N7	c1ccc2c(c1....
188	2F2U	-	M77	C14 H17 N3 O2 S	c1cc2cnccc....
189	6C0T	ic50 = 43.1 nM	EE4	C30 H30 F N5 O5	CCCOc1ccc(....
190	6BXI	-	ANP	C10 H17 N6 O12 P3	c1nc(c2c(n....
191	5F9E	ic50 = 0.46 nM	5VS	C23 H21 N5 O2	CC1(NC(=O)....
192	1XJD	Ki = 0.33 nM	STU	C28 H26 N4 O3	C[C@@]12[C....
193	3TXO	ic50 = 9 nM	07U	C17 H19 N5	CC(C)(CNc1....
194	1V0P	ic50 = 0.13 uM	PVB	C20 H25 Cl N6 O3	CC(C)[C@H]....
195	1V0O	ic50 = 5.5 uM	INR	C16 H10 N2 O5 S	c1ccc2c(c1....

Polypharmacology

Similar Ligands (2D)

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

No:	Ligand	ECFP6 Tc	MDL keys Tc
1	NTN	1	1
2	BEN	0.481481	0.8

Similar Ligands (3D)

Ligand no: 1; Ligand: NTN; Similar ligands found: 1125

No:	Ligand	Similarity coefficient
1	BAM	1.0000
2	NIO	1.0000
3	VGL	1.0000
4	BEZ	1.0000
5	UNU	1.0000
6	NCA	1.0000
7	PZA	1.0000
8	PBC	1.0000
9	AC0	1.0000
10	NBZ	1.0000
11	6PC	1.0000
12	BE7	1.0000
13	BNS	1.0000
14	SS1	1.0000
15	YCP	1.0000
16	QSC	0.9954
17	M58	0.9948
18	FOA	0.9911
19	IT2	0.9906
20	PYC	0.9898
21	C21	0.9894
22	JZ7	0.9890
23	TZC	0.9881
24	TP5	0.9870
25	PRO	0.9864
26	SMV	0.9861
27	265	0.9860
28	JBN	0.9858
29	IND	0.9820
30	GAG	0.9809
31	LZ1	0.9806
32	273	0.9799
33	PY7	0.9798
34	SS2	0.9798
35	FAN	0.9796
36	DEN	0.9796
37	5AC	0.9795
38	PHB	0.9793
39	NPO	0.9792
40	BZI	0.9782
41	CFI	0.9782
42	0R1	0.9769
43	4JP	0.9765
44	2PC	0.9763
45	MPI	0.9758
46	RSO	0.9758
47	HBX	0.9755
48	JAB	0.9755
49	GVH	0.9753
50	BZF	0.9749
51	PYF	0.9734
52	282	0.9733
53	OXQ	0.9732
54	HBD	0.9728
55	QUZ	0.9727
56	1Y6	0.9727
57	8GC	0.9724
58	BE2	0.9722
59	BHO	0.9719
60	UGC	0.9717
61	NPY	0.9717
62	OAA	0.9715
63	Z82	0.9711
64	SAL	0.9705
65	1PT	0.9699
66	3U4	0.9697
67	NBE	0.9694
68	IDM	0.9694
69	GBD	0.9692
70	JBE	0.9691
71	ISZ	0.9690
72	826	0.9687
73	54D	0.9684
74	NMJ	0.9682
75	ABN	0.9681
76	4CS	0.9679
77	2CK	0.9676
78	P72	0.9675
79	ES6	0.9674
80	4SV	0.9674
81	SYN	0.9674
82	PAB	0.9674
83	PBZ	0.9661
84	JZ5	0.9660
85	3AB	0.9660
86	SW7	0.9658
87	AMC	0.9649
88	AX7	0.9648
89	60P	0.9644
90	1DU	0.9643
91	4MA	0.9639
92	I1E	0.9639
93	MLT	0.9639
94	270	0.9635
95	J1Z	0.9634
96	1MR	0.9633
97	0CT	0.9629
98	GAB	0.9626
99	3NT	0.9625
100	JKE	0.9622
101	HIO	0.9620
102	3HB	0.9620
103	53C	0.9617
104	OVV	0.9611
105	0RW	0.9608
106	FEH	0.9608
107	HLR	0.9606
108	2K4	0.9606
109	MNN	0.9604
110	FPI	0.9601
111	OK7	0.9600
112	ABV	0.9598
113	1DJ	0.9596
114	NIZ	0.9595
115	BZX	0.9594
116	2MI	0.9594
117	6M9	0.9593
118	14O	0.9591
119	AC6	0.9591
120	5HN	0.9586
121	3SK	0.9584
122	7WV	0.9582
123	5H1	0.9581
124	9EW	0.9578
125	DYA	0.9576
126	FBM	0.9576
127	1WD	0.9576
128	SVN	0.9573
129	JZ9	0.9573
130	F60	0.9568
131	174	0.9566
132	FB2	0.9563
133	MRZ	0.9562
134	6M4	0.9560
135	FQI	0.9555
136	TZL	0.9555
137	ZBT	0.9555
138	HY3	0.9554
139	F05	0.9553
140	WCE	0.9551
141	5MB	0.9550
142	6AI	0.9547
143	14J	0.9547
144	TPA	0.9541
145	XM0	0.9540
146	P92	0.9539
147	UY7	0.9539
148	5MI	0.9536
149	BRT	0.9534
150	LMR	0.9529
151	ASP	0.9522
152	3BZ	0.9518
153	PMB	0.9516
154	HBA	0.9511
155	COI	0.9511
156	HSM	0.9510
157	VNJ	0.9500
158	PCA	0.9499
159	HYP	0.9492
160	JAE	0.9488
161	M4T	0.9485
162	3OC	0.9485
163	TFB	0.9479
164	PHU	0.9478
165	9CL	0.9476
166	M6W	0.9474
167	F9P	0.9472
168	3ID	0.9470
169	2RH	0.9470
170	XBT	0.9468
171	TEO	0.9464
172	FBJ	0.9459
173	7WG	0.9459
174	ES9	0.9452
175	PRS	0.9451
176	MXN	0.9451
177	SPA	0.9450
178	CXF	0.9441
179	1DQ	0.9437
180	4P5	0.9437
181	11S	0.9434
182	RSF	0.9434
183	SRT	0.9423
184	ADE	0.9421
185	HY1	0.9420
186	1DV	0.9419
187	4NC	0.9419
188	PZI	0.9413
189	NVI	0.9412
190	FCR	0.9412
191	PEA	0.9411
192	JB5	0.9409
193	DMD	0.9409
194	TZE	0.9406
195	3F0	0.9405
196	40E	0.9403
197	PAC	0.9403
198	PYJ	0.9402
199	NK	0.9401
200	3M0	0.9396
201	SHA	0.9391
202	DBH	0.9391
203	1P3	0.9390
204	QY9	0.9385
205	XX2	0.9383
206	NNO	0.9383
207	4VP	0.9383
208	DHB	0.9383
209	MZ0	0.9379
210	ISN	0.9378
211	K34	0.9377
212	FE DB1	0.9373
213	2HO	0.9373
214	3HA	0.9373
215	2AQ	0.9371
216	0TR	0.9371
217	ES5	0.9368
218	INO	0.9367
219	03V	0.9367
220	ASN	0.9367
221	H4N	0.9365
222	GJZ	0.9365
223	MZW	0.9362
224	TLA	0.9361
225	FK1	0.9361
226	J9T	0.9361
227	L3Q	0.9361
228	SWD	0.9359
229	ES7	0.9358
230	COU	0.9357
231	TSU	0.9357
232	KKN	0.9356
233	NXA	0.9352
234	FHB	0.9351
235	2CQ	0.9350
236	P9P	0.9348
237	5WV	0.9346
238	3HM	0.9340
239	MYJ	0.9339
240	PEL	0.9339
241	4JL	0.9339
242	TH0	0.9339
243	FA0	0.9338
244	APY	0.9332
245	1SQ	0.9331
246	93K	0.9330
247	QWN	0.9330
248	BP9	0.9329
249	HPA	0.9329
250	1WG	0.9328
251	KIV	0.9327
252	2LP	0.9326
253	QSB	0.9326
254	4A3	0.9325
255	10L	0.9323
256	RMN	0.9322
257	KYD	0.9321
258	4FS	0.9321
259	1MC	0.9320
260	1LQ	0.9319
261	OCH	0.9318
262	7N0	0.9318
263	7W4	0.9318
264	67N	0.9318
265	4JM	0.9316
266	CEE	0.9315
267	MAK	0.9314
268	9DA	0.9312
269	HSE	0.9310
270	PLQ	0.9308
271	R8A	0.9308
272	AHR	0.9308
273	JLZ	0.9307
274	271	0.9306
275	H42	0.9305
276	SAN	0.9302
277	1DW	0.9302
278	M1A	0.9301
279	7HP	0.9300
280	TH7	0.9300
281	RIB	0.9299
282	51R	0.9298
283	BVG	0.9298
284	150	0.9296
285	SIN	0.9293
286	URF	0.9292
287	5CU	0.9291
288	B24	0.9290
289	WBU	0.9286
290	HDH	0.9286
291	FUM	0.9284
292	9HX	0.9283
293	GYE	0.9283
294	CHB	0.9283
295	MAE	0.9283
296	XQ0	0.9282
297	2MH	0.9282
298	WOT	0.9280
299	DOB	0.9280
300	HX2	0.9280
301	3PF	0.9280
302	4HO	0.9279
303	O72	0.9279
304	9X7	0.9279
305	AAS	0.9279
306	8OZ	0.9279
307	BP1	0.9278
308	THE	0.9278
309	MCT	0.9276
310	HVQ	0.9275
311	5NU	0.9273
312	9TW	0.9273
313	PKU	0.9271
314	XCZ	0.9270
315	RBL	0.9268
316	8NY	0.9268
317	FBV	0.9268
318	BHA	0.9267
319	7MU	0.9267
320	N5J	0.9267
321	1P7	0.9266
322	PRI	0.9266
323	OHG	0.9266
324	DE5	0.9265
325	FP1	0.9265
326	JZ3	0.9264
327	Q88	0.9260
328	24W	0.9260
329	4JT	0.9260
330	EDG	0.9259
331	4M0	0.9259
332	69O	0.9258
333	FPN	0.9258
334	HQE	0.9258
335	4JU	0.9258
336	GRE	0.9255
337	1AB	0.9255
338	QXW	0.9254
339	6MP	0.9254
340	5SG	0.9251
341	7WA	0.9251
342	XYP	0.9251
343	IHB	0.9250
344	7B4	0.9250
345	DA1	0.9249
346	RHU	0.9249
347	ES1	0.9248
348	7CZ	0.9248
349	173	0.9245
350	1NP	0.9245
351	ES0	0.9243
352	GUA	0.9242
353	5RG	0.9241
354	HHA	0.9241
355	5IQ	0.9240
356	6M1	0.9240
357	FBA	0.9240
358	ET2	0.9238
359	5Q0	0.9237
360	PBE	0.9237
361	JPZ	0.9237
362	45L	0.9235
363	FBS	0.9232
364	4YS	0.9232
365	45C	0.9230
366	5B1	0.9229
367	PCR	0.9229
368	SMN	0.9229
369	MWM	0.9225
370	2AC	0.9225
371	HQY	0.9225
372	9RW	0.9225
373	TDR	0.9222
374	0R0	0.9222
375	DPR	0.9220
376	CWM	0.9219
377	PM6	0.9218
378	4ZE	0.9218
379	4WL	0.9218
380	3SL	0.9218
381	9TZ	0.9217
382	R2B	0.9216
383	6F0	0.9216
384	OTR	0.9214
385	AL0	0.9214
386	AMS	0.9212
387	LG4	0.9212
388	4ZA	0.9210
389	2ZV	0.9209
390	AC5	0.9208
391	FBW	0.9207
392	KOJ	0.9207
393	A09	0.9207
394	HMH	0.9204
395	4J8	0.9202
396	EKZ	0.9202
397	HCS	0.9202
398	FB1	0.9202
399	5QY	0.9202
400	H8N	0.9196
401	36R	0.9196
402	MLI	0.9196
403	LDU	0.9196
404	JYD	0.9194
405	IMR	0.9193
406	OXZ	0.9193
407	BVC	0.9192
408	ADZ	0.9191
409	F4Z	0.9190
410	LXC	0.9188
411	THR	0.9186
412	DAS	0.9185
413	GTQ	0.9185
414	6CS	0.9185
415	ALO	0.9181
416	4XR	0.9181
417	069	0.9178
418	ICF	0.9178
419	IFP	0.9176
420	CLW	0.9174
421	MLA	0.9174
422	5OB	0.9173
423	717	0.9173
424	ES4	0.9172
425	PYD	0.9171
426	ICP	0.9171
427	TC7	0.9170
428	URS	0.9169
429	25R	0.9169
430	R1X	0.9168
431	286	0.9168
432	280	0.9168
433	G3E	0.9167
434	OXC	0.9167
435	A1U	0.9165
436	C5J	0.9164
437	5MK	0.9164
438	SNE	0.9163
439	1SA	0.9163
440	5M0	0.9162
441	2MP	0.9161
442	3DO	0.9161
443	XYD	0.9160
444	PXY	0.9160
445	FPY	0.9160
446	HSO	0.9159
447	54G	0.9158
448	HIS	0.9158
449	DMG	0.9158
450	MLM	0.9157
451	34A	0.9156
452	261	0.9156
453	4XH	0.9154
454	3ZQ	0.9152
455	BTE	0.9151
456	4CL	0.9151
457	258	0.9151
458	98J	0.9150
459	VAL	0.9150
460	BZ3	0.9149
461	TAR	0.9149
462	FBB	0.9148
463	VGD	0.9148
464	MUC	0.9147
465	4CH	0.9145
466	5VM	0.9144
467	XBZ	0.9143
468	QOS	0.9142
469	ES2	0.9141
470	ORO	0.9141
471	FYU	0.9138
472	URQ	0.9137
473	EQT	0.9137
474	2D0	0.9135
475	PIM	0.9133
476	SPV	0.9132
477	D48	0.9130
478	23A	0.9128
479	K2T	0.9127
480	PEQ	0.9126
481	0V5	0.9126
482	HT4	0.9124
483	J5I	0.9124
484	MZG	0.9123
485	SE2	0.9122
486	DHR	0.9121
487	264	0.9119
488	PEP	0.9119
489	BML	0.9118
490	2YU	0.9116
491	GRO	0.9113
492	MRY	0.9113
493	NYL	0.9112
494	HH8	0.9112
495	2AL	0.9112
496	5UC	0.9111
497	51F	0.9111
498	275	0.9110
499	1P8	0.9109
500	ASC	0.9109
501	HX3	0.9109
502	5MH	0.9109
503	4JJ	0.9108
504	GLU	0.9108
505	RB5	0.9107
506	5XC	0.9106
507	P2D	0.9103
508	BEW	0.9103
509	XIY	0.9103
510	LT2	0.9103
511	8K2	0.9102
512	23W	0.9102
513	I3A	0.9098
514	12Q	0.9098
515	5JC	0.9096
516	278	0.9096
517	X0V	0.9095
518	1M2	0.9094
519	JZ2	0.9093
520	HAI	0.9092
521	BGC	0.9091
522	DS0	0.9090
523	GXE	0.9089
524	URP	0.9089
525	34D	0.9088
526	DTL	0.9088
527	AHB	0.9087
528	IP0	0.9086
529	CYH	0.9085
530	C2B	0.9084
531	K5W	0.9083
532	AZF	0.9082
533	4HS	0.9080
534	AGK	0.9080
535	JBH	0.9078
536	4NM	0.9077
537	1LN	0.9077
538	RM1	0.9076
539	2IM	0.9076
540	3PY	0.9075
541	SX1	0.9075
542	IPH	0.9075
543	43M	0.9074
544	9DG	0.9074
545	N4B	0.9072
546	1LM	0.9072
547	NOJ	0.9072
548	AW5	0.9070
549	CFP	0.9069
550	ZXD	0.9069
551	CRS	0.9069
552	AKG	0.9068
553	AEF	0.9067
554	TM7	0.9067
555	MBN	0.9067
556	CAQ	0.9066
557	27Y	0.9065
558	OXE	0.9065
559	GUN	0.9064
560	SSN	0.9060
561	3FH	0.9059
562	LEU	0.9058
563	KUF	0.9058
564	2BG	0.9057
565	Z6J	0.9056
566	IQ0	0.9056
567	2EZ	0.9055
568	AZA	0.9054
569	AAE	0.9053
570	4FA	0.9052
571	BSX	0.9051
572	2DR	0.9050
573	HH5	0.9050
574	YRL	0.9047
575	8CL	0.9047
576	GIF	0.9047
577	URA	0.9044
578	A2F	0.9042
579	IHG	0.9041
580	XUL	0.9041
581	JBK	0.9040
582	MWJ	0.9040
583	G3P	0.9039
584	R67	0.9039
585	PRA	0.9038
586	2KT	0.9037
587	I4B	0.9037
588	7HQ	0.9037
589	TTO	0.9036
590	3AP	0.9036
591	CXL	0.9033
592	5QX	0.9031
593	ANN	0.9031
594	RCO	0.9031
595	BR9	0.9030
596	OVM	0.9030
597	ECE	0.9030
598	2HQ	0.9029
599	MR1	0.9029
600	GOJ	0.9029
601	HHN	0.9029
602	V1L	0.9028
603	GDE	0.9028
604	G6D	0.9028
605	25W	0.9026
606	6GU	0.9025
607	TTL	0.9025
608	2AP	0.9024
609	RBJ	0.9024
610	XAN	0.9024
611	IGA	0.9024
612	7W1	0.9023
613	A13	0.9022
614	TLD	0.9022
615	L99	0.9022
616	SYV	0.9020
617	JA8	0.9019
618	4JN	0.9017
619	PIY	0.9017
620	CWS	0.9016
621	GLY GLY	0.9016
622	4AP	0.9016
623	3XX	0.9015
624	H3M	0.9014
625	DFB	0.9014
626	XYL	0.9010
627	FLA	0.9010
628	3MB	0.9009
629	2AS	0.9009
630	PXL	0.9008
631	0P6	0.9007
632	D1X	0.9007
633	SN4	0.9005
634	HQT	0.9004
635	JFJ	0.9004
636	284	0.9004
637	ITN	0.9003
638	6AP	0.9002
639	CTL	0.9002
640	OHP	0.9002
641	GLC	0.9002
642	4JO	0.9001
643	86J	0.8999
644	DX4	0.8999
645	3CH	0.8999
646	C2A	0.8998
647	SKM	0.8998
648	SVD	0.8997
649	LER	0.8994
650	HVK	0.8994
651	HRZ	0.8993
652	LG3	0.8990
653	QSH	0.8990
654	1XN	0.8989
655	PAF	0.8988
656	M3H	0.8988
657	H95	0.8988
658	JZ1	0.8987
659	QMP	0.8987
660	XLS	0.8986
661	97T	0.8986
662	6RQ	0.8985
663	9YL	0.8985
664	IFM	0.8985
665	TIU	0.8984
666	OVP	0.8982
667	XRG	0.8981
668	4AA	0.8981
669	259	0.8981
670	KMT	0.8979
671	24B	0.8979
672	4FH	0.8978
673	DOR	0.8978
674	2CH	0.8977
675	2FY	0.8977
676	GZL	0.8977
677	26D	0.8976
678	HPY	0.8976
679	8CM	0.8973
680	F81	0.8973
681	HC4	0.8972
682	GZ3	0.8971
683	92K	0.8971
684	S76	0.8968
685	HPS	0.8967
686	93B	0.8965
687	HMU	0.8964
688	2PG	0.8963
689	CYT	0.8962
690	DHK	0.8961
691	HDA	0.8960
692	FCA	0.8959
693	OW4	0.8958
694	ARB	0.8958
695	A7W	0.8958
696	IUR	0.8958
697	LNR	0.8957
698	BVF	0.8956
699	EA1	0.8956
700	CSS	0.8955
701	141	0.8955
702	BOA	0.8954
703	NEQ	0.8954
704	1GP	0.8952
705	290	0.8952
706	42A	0.8951
707	SKA	0.8951
708	FUL	0.8951
709	TYL	0.8950
710	3AL	0.8950
711	PNZ	0.8950
712	8H8	0.8949
713	DHQ	0.8949
714	40O	0.8947
715	XYS	0.8945
716	PPR	0.8943
717	2CO	0.8941
718	IFL	0.8940
719	IDH	0.8938
720	YH7	0.8937
721	CRN	0.8936
722	IOM	0.8936
723	L60	0.8936
724	PIH	0.8935
725	HIU	0.8935
726	9PO	0.8934
727	FBT	0.8934
728	DGJ	0.8933
729	LZM	0.8931
730	32X	0.8931
731	AZG	0.8931
732	IOL	0.8930
733	25T	0.8929
734	3QM	0.8929
735	LGA	0.8929
736	MET	0.8928
737	9TY	0.8928
738	DGY	0.8926
739	2EC	0.8925
740	P3K	0.8925
741	2FT	0.8924
742	ODO	0.8924
743	ABU	0.8923
744	KG7	0.8921
745	A2Q	0.8921
746	NSP	0.8921
747	HGW	0.8921
748	5GU	0.8920
749	KJH	0.8919
750	3NY	0.8919
751	DIN	0.8919
752	ZZT	0.8919
753	8WO	0.8918
754	0HO	0.8918
755	IZC	0.8917
756	AZ8	0.8917
757	LG5	0.8916
758	KJU	0.8915
759	RNT	0.8914
760	BNF	0.8913
761	RUU	0.8913
762	JZ4	0.8912
763	Q24	0.8911
764	JZ0	0.8911
765	MQN	0.8910
766	SC2	0.8909
767	BCP	0.8908
768	4SX	0.8906
769	BPN	0.8906
770	MS9	0.8906
771	PRY	0.8906
772	T9G	0.8906
773	PGA	0.8905
774	SEP	0.8905
775	DUC	0.8905
776	4MV	0.8902
777	IF7	0.8900
778	K7M	0.8900
779	MRW	0.8900
780	YAN	0.8899
781	ASO	0.8899
782	23J	0.8897
783	RNS	0.8897
784	LDP	0.8897
785	47J	0.8894
786	URC	0.8893
787	4HC	0.8891
788	T2C	0.8890
789	4P0	0.8888
790	0CU	0.8888
791	4JQ	0.8887
792	IV2	0.8886
793	G2F	0.8886
794	0W8	0.8884
795	0HN	0.8883
796	9MG	0.8882
797	24T	0.8880
798	93Q	0.8880
799	92Z	0.8879
800	E5X	0.8879
801	3Z7	0.8877
802	8GF	0.8876
803	M3T	0.8875
804	MT0	0.8875
805	52C	0.8875
806	HEW	0.8874
807	E60	0.8873
808	82I	0.8873
809	FGZ	0.8873
810	GLL	0.8873
811	4BZ	0.8873
812	938	0.8872
813	MWP	0.8872
814	PYG	0.8871
815	TMZ	0.8871
816	B57	0.8870
817	E7Z	0.8870
818	FDB	0.8870
819	MZB	0.8870
820	1AN	0.8869
821	ICC	0.8868
822	1XM	0.8868
823	5RN	0.8867
824	L89	0.8866
825	1DH	0.8866
826	MAN	0.8866
827	PAE	0.8865
828	R9S	0.8865
829	FOT	0.8864
830	FP2	0.8863
831	IPB	0.8863
832	3MC	0.8862
833	HGQ	0.8862
834	HYN	0.8861
835	JIF	0.8861
836	FUC	0.8861
837	4ZC	0.8861
838	UNC	0.8861
839	CEJ	0.8860
840	0TU	0.8860
841	DHS	0.8859
842	RIP	0.8859
843	KT7	0.8858
844	NLE	0.8858
845	KTA	0.8857
846	2AF	0.8856
847	NVA	0.8855
848	HHH	0.8855
849	0MK	0.8855
850	6NT	0.8854
851	AJ2	0.8854
852	FUB	0.8853
853	C2U	0.8853
854	ORN	0.8851
855	4XX	0.8851
856	APG	0.8850
857	HTS	0.8849
858	3Z8	0.8848
859	EDR	0.8846
860	Y8I	0.8846
861	F4E	0.8846
862	2ZM	0.8845
863	M5K	0.8844
864	SD4	0.8844
865	HQJ	0.8844
866	263	0.8843
867	3WA	0.8843
868	4YO	0.8842
869	4Z4	0.8841
870	8LG	0.8841
871	LEA	0.8841
872	B3R	0.8840
873	4H2	0.8838
874	ABE	0.8837
875	F5B	0.8837
876	3IT	0.8835
877	DIU	0.8833
878	76X	0.8831
879	J9N	0.8830
880	KBB	0.8830
881	F31	0.8829
882	SJ5	0.8828
883	OGA	0.8827
884	VNL	0.8827
885	285	0.8826
886	RJY	0.8824
887	MEW	0.8824
888	Q6T	0.8824
889	L5V	0.8823
890	PBA	0.8822
891	NDH	0.8821
892	F9Y	0.8820
893	SWA	0.8820
894	HJP	0.8819
895	SER	0.8819
896	XIX	0.8818
897	CIZ	0.8818
898	DSN	0.8817
899	LCN	0.8815
900	EYK	0.8815
901	BTY	0.8814
902	DBX	0.8812
903	ABI	0.8812
904	MPD	0.8810
905	AQO	0.8809
906	CIG	0.8806
907	GG6	0.8804
908	GIO	0.8804
909	PHE	0.8801
910	EXO	0.8801
911	PE0	0.8800
912	DFU	0.8800
913	6X8	0.8800
914	MBD	0.8800
915	13P	0.8800
916	RAM	0.8800
917	FBU	0.8799
918	GLN	0.8798
919	0JD	0.8796
920	CYS	0.8793
921	TGX	0.8791
922	2HU	0.8790
923	NCT	0.8790
924	2A9	0.8789
925	3A9	0.8788
926	B55	0.8786
927	8S0	0.8783
928	AZ9	0.8783
929	JBQ	0.8782
930	SYG	0.8781
931	6NI	0.8781
932	PZM	0.8781
933	ABA	0.8779
934	A29	0.8778
935	5NI	0.8778
936	G4D	0.8778
937	BCU	0.8777
938	64K	0.8777
939	PAH	0.8776
940	4VY	0.8776
941	AKH	0.8776
942	YHO	0.8776
943	N2Z	0.8775
944	MNM	0.8775
945	R8V	0.8774
946	G3F	0.8774
947	HHQ	0.8774
948	XQG	0.8773
949	MJ2	0.8772
950	XAZ	0.8772
951	X1S	0.8771
952	IPZ	0.8770
953	7NI	0.8770
954	IPU	0.8769
955	ZZ3	0.8769
956	CTS	0.8768
957	75K	0.8767
958	S0H	0.8767
959	3FA	0.8766
960	5JQ	0.8766
961	8TX	0.8765
962	DEE	0.8764
963	FFP	0.8763
964	GAL	0.8763
965	JAW	0.8762
966	GMN	0.8762
967	8ZE	0.8760
968	FW5	0.8760
969	8WT	0.8759
970	IVA	0.8759
971	TMT	0.8756
972	FLM	0.8756
973	XXR	0.8756
974	1F1	0.8755
975	BEA	0.8755
976	RUY	0.8754
977	ARA	0.8754
978	FPK	0.8753
979	R8S	0.8749
980	ACH	0.8748
981	SAT	0.8748
982	NOY	0.8746
983	2C9	0.8744
984	CP	0.8744
985	M2H	0.8743
986	QWW	0.8742
987	GVG	0.8741
988	QX2	0.8740
989	7MH	0.8739
990	H76	0.8737
991	4HM	0.8737
992	FK8	0.8737
993	M0W	0.8734
994	DQY	0.8733
995	ALL	0.8732
996	42C	0.8731
997	495	0.8731
998	SAR	0.8730
999	M1E	0.8730
1000	4XV	0.8730
1001	HLZ	0.8725
1002	6OT	0.8725
1003	8IG	0.8724
1004	SOE	0.8723
1005	2MY	0.8721
1006	M6N	0.8721
1007	MED	0.8720
1008	MUA	0.8720
1009	2HG	0.8718
1010	DRL	0.8718
1011	M2K	0.8718
1012	5JL	0.8717
1013	IWT	0.8716
1014	J9W	0.8713
1015	DGN	0.8711
1016	ICO	0.8711
1017	MSR	0.8711
1018	2F6	0.8710
1019	YTB	0.8710
1020	42J	0.8709
1021	FA1	0.8709
1022	B53	0.8708
1023	BZ2	0.8707
1024	IJZ	0.8707
1025	LLQ	0.8706
1026	LGC	0.8706
1027	DXX	0.8705
1028	0OC	0.8705
1029	GLA	0.8699
1030	AJV	0.8690
1031	6TZ	0.8687
1032	HQD	0.8686
1033	3CE	0.8686
1034	M0Q	0.8685
1035	HZQ	0.8685
1036	4SD	0.8685
1037	35C	0.8684
1038	GP9	0.8681
1039	ADK	0.8679
1040	3DM	0.8677
1041	V55	0.8676
1042	4M4	0.8675
1043	15E	0.8675
1044	MO8	0.8673
1045	M1Q	0.8672
1046	2H5	0.8671
1047	7VS	0.8671
1048	CPZ	0.8670
1049	GAF	0.8670
1050	SNU	0.8667
1051	9FL	0.8666
1052	3MH	0.8666
1053	GCS	0.8665
1054	CMS	0.8664
1055	F0J	0.8659
1056	DMJ	0.8657
1057	2FG	0.8656
1058	DUB	0.8656
1059	PMF	0.8655
1060	2CM	0.8655
1061	GOL	0.8655
1062	192	0.8654
1063	BUA	0.8653
1064	JXN	0.8653
1065	9X6	0.8649
1066	N2I	0.8649
1067	J9Q	0.8648
1068	149	0.8648
1069	T6C	0.8648
1070	ICB	0.8647
1071	OPE	0.8647
1072	GTR	0.8646
1073	GXY	0.8644
1074	PRZ	0.8643
1075	0N7	0.8643
1076	UFV	0.8642
1077	GXL	0.8641
1078	NK2	0.8640
1079	TEP	0.8638
1080	EUG	0.8638
1081	7VD	0.8634
1082	4HP	0.8632
1083	LSA	0.8627
1084	6MH	0.8626
1085	2A7	0.8625
1086	FUF	0.8623
1087	5RO	0.8622
1088	12M	0.8620
1089	WOO	0.8619
1090	4XS	0.8618
1091	39A	0.8618
1092	N3W	0.8618
1093	KJY	0.8616
1094	JF6	0.8612
1095	M45	0.8612
1096	TB6	0.8611
1097	ESP	0.8608
1098	DIE	0.8606
1099	BXO	0.8600
1100	HXX	0.8596
1101	0FO	0.8592
1102	TM4	0.8587
1103	OMD	0.8585
1104	ADA	0.8582
1105	6UA	0.8581
1106	TAG	0.8580
1107	3RK	0.8579
1108	INS	0.8578
1109	MSE	0.8577
1110	1XX	0.8572
1111	9CA	0.8572
1112	AX2	0.8566
1113	37T	0.8563
1114	DGL	0.8561
1115	DTU	0.8561
1116	Q02	0.8559
1117	13X	0.8557
1118	MPV	0.8551
1119	MSF	0.8551
1120	2AK	0.8549
1121	1SP	0.8549
1122	5AN	0.8539
1123	BR8	0.8532
1124	0F9	0.8524
1125	3AY	0.8506

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

Pocket No.: 1; Query (leader) PDB : 5IZF; Ligand: 6J9 AZ1 DAR ACA DAR NH2; Similar sites found with APoc: 91

This union binding pocket(no: 1) in the query (biounit: 5izf.bio1) has 52 residues
No:	Leader PDB	Ligand	Sequence Similarity
1	4OAV	ACP	6.83761
2	4OAV	ACP	6.83761
3	6AC9	ANP	8.54701
4	4OH4	ANP	14.4144
5	4OH4	ANP	14.4144
6	6JKM	ADP	22.8739
7	4JR7	GNP	25.9259
8	3UIM	ANP	27.6074
9	6FYL	3NG	27.9202
10	4H3P	ANP	28.2051
11	4H3P	ANP	28.2051
12	4UX9	ANP	29.9145
13	5Y86	HRM	29.9145
14	4UX9	ANP	29.9145
15	4UX9	ANP	29.9145
16	4UX9	ANP	29.9145
17	6P5S	3NG	30.1994
18	5ZTN	CUR	30.4843
19	1U5R	ATP	30.7443
20	6F3G	CJN	30.8475
21	3ALN	ANP	30.8869
22	5X8I	SQZ	31.2139
23	5X8I	SQZ	31.2139
24	6XX7	ANP	31.5789
25	6FYV	3NG	31.7507
26	3HMO	STU	31.9066
27	3HMO	STU	31.9066
28	5HVJ	ANP	32.0635
29	6A1G	9OL	32.1937
30	6YA7	ADP	32.1937
31	6K0J	CQO	32.4159
32	2JLD	AG1	33.0484
33	2JLD	AG1	33.0484
34	3PTG	932	33.3333
35	4NM5	ADP	33.4302
36	4NM5	ADP	33.4302
37	6K3L	3NG	33.432
38	3PLS	ANP	33.8926
39	6VRF	ADP	34.4482
40	6VRF	ADP	34.4482
41	1UNH	IXM	35.9589
42	3O0G	3O0	35.9589
43	1UNH	IXM	35.9589
44	4YZN	4K5	36.5854
45	2A19	ANP	36.6197
46	1JPA	ANP	36.859
47	4CFU	2WC	36.9637
48	4CFU	2WC	36.9637
49	4BCQ	TJF	37.2093
50	4BCM	T7Z	37.2093
51	4BCM	T7Z	37.2093
52	4BCQ	TJF	37.2093
53	4BCN	T9N	37.3333
54	4BCN	T9N	37.3333
55	6GUE	FB8	37.4172
56	6GUE	FB8	37.4172
57	5UPK	ANP	37.5723
58	2PVF	ACP	37.7246
59	4X7Q	3YR	37.8205
60	4X7Q	3YR	37.8205
61	2YAB	AMP	38.4615
62	2YAB	AMP	38.4615
63	3BU5	ATP	38.5621
64	3DLS	ADP	38.806
65	3DLS	ADP	38.806
66	3DLS	ADP	38.806
67	3DLS	ADP	38.806
68	3DLS	ADP	38.806
69	3DLS	ADP	38.806
70	3DLS	ADP	38.806
71	3DLS	ADP	38.806
72	3DLS	ADP	38.806
73	3DLS	ADP	38.806
74	3DLS	ADP	38.806
75	3DLS	ADP	38.806
76	3GQI	ACP	38.9571
77	1U59	STU	39.3728
78	5WNL	STU	39.6947
79	5WNL	STU	39.6947
80	4BFM	ANP	40.4192
81	3KN5	ANP	40.6154
82	3KN5	ANP	40.6154
83	1BYG	STU	43.1655
84	3SRV	S19	44.0433
85	3SRV	S19	44.0433
86	3CY2	MB9	44.2675
87	4L9I	8PR	45.584
88	2YAK	OSV	47.0175
89	6QAV	HVH	47.5
90	6PJX	SGV	47.8632
91	4WNK	453	48.433

APoc FAQ