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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
- Family 90% : .ZIP | .CSV
- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 15 families. | |||||
1 | 2CHM | ic50 = 5.5 nM | 3P4 | C23 H29 N6 O3 | CCc1c2c([n.... |
2 | 3TGG | - | 0H3 | C23 H31 N5 O4 | CCCOCCN1c2.... |
3 | 3HDZ | ic50 = 51 nM | PD6 | C18 H19 N3 O | CCCCN1C=CC.... |
4 | 3TGE | ic50 = 0.07 nM | TGE | C24 H32 N6 O4 | CCCOCCN1c2.... |
5 | 3B2R | - | VDN | C23 H32 N6 O4 S | CCCc1nc(c2.... |
6 | 2H44 | ic50 = 1.7 uM | 7CA | C27 H32 O10 | C[C@H]1[C@.... |
7 | 2H42 | ic50 = 2.4 nM | VIA | C22 H30 N6 O4 S | CCCc1c2c(n.... |
8 | 1T9S | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
9 | 4MD6 | ic50 = 17 nM | 24E | C22 H15 N O3 S | c1ccc2c(c1.... |
10 | 1UHO | Kd ~ 0.6 nM | VDN | C23 H32 N6 O4 S | CCCc1nc(c2.... |
11 | 1UDT | Kd ~ 0.5 nM | VIA | C22 H30 N6 O4 S | CCCc1c2c(n.... |
12 | 1RKP | - | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
13 | 4IA0 | ic50 = 77 nM | 5BB | C25 H37 Br N4 O4 S | CCCCCCCCC1.... |
14 | 3SIE | ic50 = 13.3 nM | 5BO | C20 H27 Br N4 O4 S | CCCOc1ccc(.... |
15 | 3HC8 | ic50 = 2.9 nM | PD4 | C24 H32 N6 O4 | CCCOCCN1c2.... |
16 | 1XP0 | ic50 = 0.001 uM | VDN | C23 H32 N6 O4 S | CCCc1nc(c2.... |
17 | 1XOZ | ic50 = 0.0012 uM | CIA | C22 H19 N3 O4 | CN1CC(=O)N.... |
18 | 6L6E | - | E6L | C23 H26 Cl N7 O3 | COc1ccc(cc.... |
19 | 4I9Z | ic50 = 18.2 nM | 5BA | C23 H31 Br N4 O3 | CCCOc1ccc(.... |
20 | 1TBF | - | VIA | C22 H30 N6 O4 S | CCCc1c2c(n.... |
21 | 4OEX | Kd = 0.000000064 M | 5EO | C20 H28 N4 O4 S | CCCOc1ccc(.... |
22 | 4G2Y | ic50 > 1000 nM | NI5 | C21 H28 N4 O4 S | CCCOc1ccc(.... |
23 | 4OEW | Kd = 0.000000064 M | 5IO | C20 H27 I N4 O4 S | CCCOc1ccc(.... |
24 | 3SHZ | ic50 = 35.9 nM | 5CO | C20 H27 Cl N4 O4 S | CCCOc1ccc(.... |
25 | 4G2W | ic50 = 1.6 nM | NI0 | C22 H32 N4 O4 S | CCCOc1ccc(.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 2CHM | ic50 = 5.5 nM | 3P4 | C23 H29 N6 O3 | CCc1c2c([n.... |
2 | 3TGG | - | 0H3 | C23 H31 N5 O4 | CCCOCCN1c2.... |
3 | 3HDZ | ic50 = 51 nM | PD6 | C18 H19 N3 O | CCCCN1C=CC.... |
4 | 3TGE | ic50 = 0.07 nM | TGE | C24 H32 N6 O4 | CCCOCCN1c2.... |
5 | 3B2R | - | VDN | C23 H32 N6 O4 S | CCCc1nc(c2.... |
6 | 2H44 | ic50 = 1.7 uM | 7CA | C27 H32 O10 | C[C@H]1[C@.... |
7 | 2H42 | ic50 = 2.4 nM | VIA | C22 H30 N6 O4 S | CCCc1c2c(n.... |
8 | 1T9S | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
9 | 4MD6 | ic50 = 17 nM | 24E | C22 H15 N O3 S | c1ccc2c(c1.... |
10 | 1UHO | Kd ~ 0.6 nM | VDN | C23 H32 N6 O4 S | CCCc1nc(c2.... |
11 | 1UDT | Kd ~ 0.5 nM | VIA | C22 H30 N6 O4 S | CCCc1c2c(n.... |
12 | 1RKP | - | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
13 | 4IA0 | ic50 = 77 nM | 5BB | C25 H37 Br N4 O4 S | CCCCCCCCC1.... |
14 | 3SIE | ic50 = 13.3 nM | 5BO | C20 H27 Br N4 O4 S | CCCOc1ccc(.... |
15 | 3HC8 | ic50 = 2.9 nM | PD4 | C24 H32 N6 O4 | CCCOCCN1c2.... |
16 | 1XP0 | ic50 = 0.001 uM | VDN | C23 H32 N6 O4 S | CCCc1nc(c2.... |
17 | 1XOZ | ic50 = 0.0012 uM | CIA | C22 H19 N3 O4 | CN1CC(=O)N.... |
18 | 6L6E | - | E6L | C23 H26 Cl N7 O3 | COc1ccc(cc.... |
19 | 4I9Z | ic50 = 18.2 nM | 5BA | C23 H31 Br N4 O3 | CCCOc1ccc(.... |
20 | 1TBF | - | VIA | C22 H30 N6 O4 S | CCCc1c2c(n.... |
21 | 4OEX | Kd = 0.000000064 M | 5EO | C20 H28 N4 O4 S | CCCOc1ccc(.... |
22 | 4G2Y | ic50 > 1000 nM | NI5 | C21 H28 N4 O4 S | CCCOc1ccc(.... |
23 | 4OEW | Kd = 0.000000064 M | 5IO | C20 H27 I N4 O4 S | CCCOc1ccc(.... |
24 | 1Y2B | ic50 = 82 uM | DEE | C8 H12 N2 O2 | CCOC(=O)c1.... |
25 | 6IMD | ic50 = 58.5 uM | AH9 | C12 H15 N O3 | COc1cc2c(c.... |
26 | 1TBB | - | ROL | C16 H21 N O3 | COc1ccc(cc.... |
27 | 4W1O | - | 3GJ | C19 H17 Cl2 N3 O4 | CCc1cc(on1.... |
28 | 5LBO | - | 6M5 | C33 H40 N6 O4 | COc1ccc(cc.... |
29 | 6IMT | ic50 = 0.25 uM | AK0 | C22 H23 F N2 O3 | COc1cc2c(c.... |
30 | 6RCW | - | JX2 | C30 H33 N3 O4 | COc1ccc(cc.... |
31 | 6HWO | Ki = 0.00000079 M | FFZ | C28 H29 N3 O3 | CC(C)N1C(=.... |
32 | 6IMI | ic50 = 26.1 uM | AH6 | C13 H17 N O3 | CCOc1cc2c(.... |
33 | 6IMB | ic50 = 58.5 uM | AH9 | C12 H15 N O3 | COc1cc2c(c.... |
34 | 1ZKN | - | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
35 | 6NJJ | - | KR7 | C21 H15 Cl F3 N O2 | c1cc(cc(c1.... |
36 | 3SL4 | ic50 = 0.027 uM | JN4 | C21 H21 N3 O4 S | C=CNC(=O)N.... |
37 | 1XOQ | ic50 = 0.68 nM | ROF | C17 H14 Cl2 F2 N2 O3 | c1cc(c(cc1.... |
38 | 1Y2E | ic50 = 0.16 uM | 5DE | C14 H17 N3 O2 | CCOC(=O)c1.... |
39 | 1PTW | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
40 | 6FTW | - | E6Z | C25 H29 N3 O3 | COc1ccc(cc.... |
41 | 5WQA | ic50 = 0.011 uM | J20 | C36 H26 O5 | COc1ccc(cc.... |
42 | 1Y2D | ic50 = 2 uM | 4DE | C15 H18 N2 O3 | CCOC(=O)c1.... |
43 | 6F8W | ic50 = 23 uM | D0E | C22 H29 N3 O4 | COc1ccc(cc.... |
44 | 6AKR | - | A0O | C15 H16 O3 | CC(=CCc1c(.... |
45 | 1XON | ic50 = 0.021 nM | PIL | C18 H18 Cl2 N2 O3 | COc1ccc(cc.... |
46 | 6NJH | - | KRD | C19 H18 Cl N5 O | CCc1nc(nc(.... |
47 | 1TB7 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
48 | 6FDC | ic50 = 2.3 uM | DD5 | C22 H29 F2 N3 O4 | c1cc(c(cc1.... |
49 | 6IND | ic50 = 0.24 uM | AKO | C23 H26 N2 O3 | Cc1ccc2c(c.... |
50 | 6INK | ic50 = 0.27 uM | AKU | C22 H24 N2 O3 | COc1cc2c(c.... |
51 | 6IMR | ic50 = 4.3 uM | AJX | C23 H26 N2 O3 | COc1cc2c(c.... |
52 | 1XOR | ic50 = 0.39 uM | ZAR | C12 H10 F2 N2 O3 | COc1cc(ccc.... |
53 | 3G4K | ic50 = 288 nM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
54 | 1Y2C | ic50 = 0.27 uM | 3DE | C14 H17 N2 O2 | CCOC(=O)c1.... |
55 | 2FM0 | ic50 = 0.4 nM | M98 | C23 H18 F8 N2 O4 S | c1cc(c[n+].... |
56 | 6KJZ | ic50 = 420 nM | MKU | C24 H26 O6 | CC(=CCc1c2.... |
57 | 6F8T | ic50 = 7 uM | CZT | C22 H34 N2 O5 | C[C@@H]1CN.... |
58 | 1Y2K | ic50 = 0.021 uM | 7DE | C14 H15 N3 O4 | CCOC(=O)c1.... |
59 | 1XOM | ic50 = 0.011 uM | CIO | C20 H25 N O4 | COc1ccc(cc.... |
60 | 6KK0 | ic50 = 17 nM | M36 | C31 H36 O8 | CC(=CCc1c2.... |
61 | 2PW3 | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
62 | 6IM6 | ic50 = 20.7 uM | AH3 | C13 H17 N O3 | CCOc1cc2c(.... |
63 | 1Q9M | ic50 = 0.33 uM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
64 | 4WCU | ic50 = 3 nM | 3KQ | C24 H22 Cl2 N2 O5 | COc1ccc(c(.... |
65 | 6F8U | ic50 = 0.8 uM | CZQ | C21 H28 F2 N2 O5 | C[C@@H]1CN.... |
66 | 6INM | ic50 = 0.51 uM | AKU | C22 H24 N2 O3 | COc1cc2c(c.... |
67 | 2FM5 | ic50 = 43 nM | M99 | C23 H18 F8 N2 O4 S | c1cc(c[n+].... |
68 | 3G4I | - | D71 | C19 H13 N5 O4 | c1cc(cc(c1.... |
69 | 6F6U | ic50 = 16 uM | CV8 | C21 H30 N2 O5 | C[C@@H]1CN.... |
70 | 6F8V | ic50 = 16 uM | D0B | C24 H33 N3 O4 | C[C@@H]1CN.... |
71 | 6IMO | ic50 = 0.65 uM | AJL | C21 H22 N2 O3 | COc1cc2c(c.... |
72 | 3G4L | ic50 = 5.8 nM | ROF | C17 H14 Cl2 F2 N2 O3 | c1cc(c(cc1.... |
73 | 4G2J | ic50 = 11 nM | 0WF | C21 H25 N5 O2 | C[C@H](C1=.... |
74 | 3K3H | - | BYE | C15 H12 Cl F3 N4 O | C[C@@H](CC.... |
75 | 3DY8 | - | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
76 | 3DYN | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
77 | 3DYQ | - | PCG | C10 H12 N5 O7 P | c1nc2c(n1[.... |
78 | 3JSW | ic50 = 66 nM | JAR | C20 H25 N5 O | C[C@@H]1C[.... |
79 | 3DYS | - | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
80 | 4E90 | ic50 = 8 nM | 7RG | C20 H25 N7 O2 | C[C@@H]1C[.... |
81 | 5U7K | ic50 = 7.1 nM | 7Y1 | C20 H22 N6 O | CCCOc1cncc.... |
82 | 6CYD | ic50 = 2 nM | FKG | C16 H15 F3 N4 O2 | CC1=Nc2c(c.... |
83 | 5TZA | ic50 = 0.001 uM | 7OG | C22 H21 N5 O | Cc1cc(n2c(.... |
84 | 6C7G | ic50 = 18.2 nM | EOY | C31 H34 Cl N5 O2 | Cc1c2nnc(n.... |
85 | 5VP0 | ic50 = 0.61 nM | 9GJ | C19 H18 F4 N4 O5 | COC[C@H](c.... |
86 | 5U00 | ic50 = 0.002 uM | 7OV | C18 H15 F3 I N5 O | Cc1cc(n2c(.... |
87 | 5U7I | ic50 = 66.6 nM | 7XS | C20 H25 N5 O2 | CC(C)Cc1c2.... |
88 | 5U7J | ic50 = 389.6 nM | 7XV | C18 H22 N4 O2 | CC(C)Cc1nn.... |
89 | 5XKM | ic50 = 24 nM | 87R | C18 H17 F3 N4 O2 | CC[C@H](c1.... |
90 | 6B98 | Ki = 22.4 uM | D07 | C7 H8 Cl N5 | CNc1c2cnn(.... |
91 | 6B96 | Ki = 14.3 nM | CZV | C15 H11 Cl F3 N5 | c1cc(ccc1C.... |
92 | 5U7D | ic50 = 0.5 nM | 19F | C27 H32 N4 O4 | Cc1c2n(c(n.... |
93 | 6ZQZ | ic50 = 24 nM | QOQ | C18 H19 Cl F2 N6 | Cc1cc(cc(n.... |
94 | 5TZX | ic50 = 0.052 uM | 7OY | C18 H15 Cl F3 N5 O | Cc1cc(n2c(.... |
95 | 6C7I | ic50 = 0.38 nM | EP7 | C22 H22 Cl N5 O2 | Cc1c2nnc(n.... |
96 | 6CYB | ic50 = 0.96 nM | FKV | C16 H12 F6 N4 O2 | C[C@@H](c1.... |
97 | 6B97 | Ki = 0.237 uM | CZY | C15 H13 Cl F3 N5 | C[C@H](c1c.... |
98 | 5TZZ | ic50 = 0.014 uM | 7OJ | C18 H15 Br F3 N5 O | Cc1cc(n2c(.... |
99 | 5VP1 | ic50 = 0.51 nM | 9GA | C22 H22 F3 N7 O3 | Cc1cn2c(c(.... |
100 | 4HTX | ic50 = 4.7 nM | 19F | C27 H32 N4 O4 | Cc1c2n(c(n.... |
101 | 6EZF | - | C6Z | C11 H8 Cl2 N2 S | c1cc(c(cc1.... |
102 | 5TZ3 | ic50 = 0.14 uM | 7OM | C22 H22 N6 O | Cc1cc(n2c(.... |
103 | 5TZH | ic50 = 0.679 uM | 7OP | C18 H16 F3 N5 O | Cc1cc(n2c(.... |
104 | 6ZND | ic50 = 66 nM | QMZ | C20 H23 N5 O4 | COc1cc(cc(.... |
105 | 5TZC | ic50 = 0.008 uM | 7OJ | C18 H15 Br F3 N5 O | Cc1cc(n2c(.... |
106 | 3ITU | ic50 = 40 uM | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
107 | 6C7F | ic50 = 0.00000001 M | EOS | C22 H22 Cl N5 O2 | Cc1c2nnc(n.... |
108 | 6C7E | ic50 = 0.24 nM | EOG | C18 H14 Cl N5 O | Cc1c2nnc(n.... |
109 | 6C7J | ic50 = 1.32 nM | EPV | C25 H28 Cl N5 O2 | Cc1c2nnc(n.... |
110 | 4JIB | ic50 = 45 nM | 1L6 | C23 H28 N6 O2 | CCC(C)(C)c.... |
111 | 5U7L | ic50 = 4.9 nM | 7Y4 | C24 H30 N8 | CCc1ccc(cc.... |
112 | 4D09 | ic50 = 1.7 nM | 788 | C24 H19 N5 O | Cc1c2nnc(n.... |
113 | 6C7D | ic50 = 0.17 nM | EOJ | C27 H26 Cl N5 O | Cc1c2nnc(n.... |
114 | 5TZW | ic50 = 0.987 uM | 7P4 | C18 H15 F4 N5 O | Cc1cc(n2c(.... |
115 | 6CYC | ic50 = 14 nM | FKJ | C15 H13 F3 N4 O3 | C[C@@H](c1.... |
116 | 4D08 | ic50 = 10 nM | Q2T | C24 H28 N6 O2 | CCCCOc1cc(.... |
117 | 5I2R | ic50 = 0.019 uM | 67A | C20 H13 F3 N4 O2 | c1ccc(cc1).... |
118 | 4FCB | ic50 = 2.9 nM | 0T7 | C25 H24 N4 O | CCCc1nc(c2.... |
119 | 4LM3 | Ki = 1200 uM | 9ZE | C10 H10 O3 | CC(=O)c1cc.... |
120 | 5C29 | Ki = 880 nM | 4XY | C11 H16 Cl N3 | CCCNc1c(c(.... |
121 | 4MSC | Ki = 1.1 uM | 2ZT | C19 H14 N2 O | c1ccc2c(c1.... |
122 | 2OUQ | - | 5GP | C10 H14 N5 O8 P | c1nc2c(n1[.... |
123 | 4MRW | Ki = 500 uM | MRW | C9 H6 Cl N O | c1cc2c(ccn.... |
124 | 6MSC | ic50 = 21 nM | JY7 | C17 H14 F N5 O | Cc1cnccc1c.... |
125 | 5C2E | Ki = 2 nM | 4Y1 | C18 H20 Cl N5 O S | Cc1c(nc(nc.... |
126 | 4LKQ | Ki = 450 uM | 1XM | C5 H5 N5 S | c1c2c([nH].... |
127 | 3LXG | ic50 = 7.28 nM | Z73 | C15 H18 N4 O | CCCc1nc(c2.... |
128 | 5AXP | ic50 = 0.94 nM | 4LK | C23 H18 F N5 O4 | COC1=CN(N=.... |
129 | 4ZO5 | Ki = 0.15 nM | 4Q0 | C28 H25 N3 O5 | CC(C)Oc1cc.... |
130 | 5C1W | Ki = 8.7 uM | 4XS | C8 H8 Cl2 N2 | Cc1c(nc(nc.... |
131 | 3UI7 | Ki = 1 nM | C1L | C18 H22 N4 O2 | Cc1cc(cc2c.... |
132 | 2OUY | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
133 | 3SNL | ic50 = 0.7 nM | 548 | C19 H14 Cl F3 N4 | Cc1cnccc1c.... |
134 | 4LM4 | Ki = 910 uM | JPZ | C8 H6 N2 O | c1ccc2c(c1.... |
135 | 2OUN | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
136 | 6MSA | ic50 = 5 nM | JY4 | C12 H12 N4 O2 | Cc1c2c3cc(.... |
137 | 5EDI | ic50 = 0.3 nM | 5M9 | C17 H22 Cl N7 | Cc1cc(c(n2.... |
138 | 2OUR | - | CMP | C10 H12 N5 O6 P | c1nc(c2c(n.... |
139 | 2Y0J | ic50 = 12 nM | AXC | C18 H14 N6 S | Cc1nc2c3cc.... |
140 | 4FCD | ic50 = 0.28 nM | 0T6 | C18 H15 Cl N4 O2 | Cc1c2nnc3c.... |
141 | 5B4L | ic50 = 0.76 nM | 6DW | C28 H27 N7 O2 | c1ccc(cc1).... |
142 | 5C2H | Ki = 0.0082 nM | 4XU | C23 H24 Cl N5 O S | Cc1c(nc(nc.... |
143 | 4YS7 | ic50 = 0.001 uM | 4GK | C20 H19 N7 | Cc1cnc(c2n.... |
144 | 5EDH | - | 5MF | C17 H24 N8 | CCc1cnc(n2.... |
145 | 4PHW | ic50 = 0.1 nM | 2W1 | C24 H21 N3 O3 | c1ccc2c(c1.... |
146 | 4BBX | ic50 = 60 nM | LKF | C18 H24 N6 O2 | Cc1c(n2ccn.... |
147 | 5DH5 | Ki = 0.23 nM | 5AY | C20 H21 N7 O | Cn1cc(cn1).... |
148 | 4P1R | ic50 = 4.1 nM | 2KR | C19 H17 N5 O | Cc1ccc(nc1.... |
149 | 6KDX | ic50 = 294 nM | D6X | C18 H18 N6 | Cc1cc(n2c(.... |
150 | 4LLP | Ki = 16 uM | 4ZE | C7 H9 N O | Cc1cc(ccc1.... |
151 | 5UWF | ic50 = 0.059 uM | 8Q7 | C22 H19 F2 N5 O3 S | COc1ccc(cc.... |
152 | 4MSH | Ki = 210 uM | 2D0 | C7 H5 Cl N2 S | c1cc2c(c(c.... |
153 | 5AXQ | ic50 = 0.08 nM | 4LP | C28 H26 F N5 O3 | CC1(c2c(cc.... |
154 | 4LM2 | Ki = 940 uM | 8ZE | C9 H10 O3 | c1cc2c(cc1.... |
155 | 4YQH | ic50 = 0.009 uM | 4F7 | C19 H16 N4 | c1ccc(cc1).... |
156 | 5C2A | Ki = 4.8 nM | 4Y2 | C14 H17 Cl N4 S | Cc1c(nc(nc.... |
157 | 4DDL | ic50 = 4.9 nM | 0JQ | C24 H30 N4 O3 | Cc1cc(cnc1.... |
158 | 4P0N | ic50 = 3.4 nM | 1IR | C18 H17 N5 O S | COc1nc2ccc.... |
159 | 5EDG | - | 5MG | C20 H12 Cl F3 N4 O2 | c1ccc(cc1).... |
160 | 6K9U | - | D4L | C25 H29 N7 O | Cc1ccc2c(c.... |
161 | 4LLX | Ki = 1300 uM | 5ZE | C6 H9 N3 | Cc1cc(nc(n.... |
162 | 5C28 | Ki = 2.2 uM | 4XV | C8 H10 Cl N3 | Cc1c(nc(nc.... |
163 | 2OUU | - | 35G | C10 H12 N5 O7 P | c1nc2c(n1[.... |
164 | 4MVH | ic50 = 4.5 nM | 2F5 | C22 H19 N5 O3 | c1ccc2c(c1.... |
165 | 4HEU | ic50 = 0.097 nM | 15J | C24 H25 N5 O2 | c1ccc2c(c1.... |
166 | 4LLJ | Ki = 380 uM | 1XN | C8 H9 N3 | c1ccc2c(c1.... |
167 | 3SNI | ic50 = 11 nM | 546 | C18 H17 N5 O | Cc1ccncc1c.... |
168 | 4HF4 | ic50 = 2.4 nM | 15H | C24 H25 N5 O2 S | C[C@@H](C1.... |
169 | 3SN7 | ic50 = 0.7 nM | 540 | C19 H17 F N4 O | Cc1cnccc1c.... |
170 | 4AEL | ic50 = 12 nM | 4HN | C23 H17 N3 O2 | CCOc1ccccc.... |
171 | 4LLK | Ki = 990 uM | MEW | C9 H8 N2 O | CC1=Nc2ccc.... |
172 | 4MSA | Ki = 500 uM | 2ZM | C7 H5 N3 O2 | c1cc2c(cc1.... |
173 | 4MS0 | Ki = 410 uM | 2ZX | C4 H5 Cl N4 | c1c(nc(nc1.... |
174 | 4LM0 | Ki = 560 uM | 5NI | C7 H5 N3 O2 | c1cc2c(cc1.... |
175 | 4DFF | Ki = 35 nM | 0JP | C16 H15 N3 O2 S | COc1cc2c(c.... |
176 | 3WI2 | ic50 = 92 nM | P98 | C26 H23 N3 O | CC(C)c1nc2.... |
177 | 4MRZ | Ki = 300 uM | 2ZV | C6 H7 N3 O2 | Cc1ccnc(c1.... |
178 | 4LM1 | Ki = 590 uM | 7ZE | C9 H6 N2 O2 | c1cc2c(ccc.... |
179 | 5DH4 | Ki = 58 nM | 5AV | C12 H12 Cl N5 S | Cc1c(sc(n1.... |
180 | 5XUJ | - | 8G6 | C13 H10 Cl N3 | Cc1cc2nccc.... |
181 | 3UUO | Ki = 11 nM | 0CV | C17 H21 N5 O | Cc1cc(cc2c.... |
182 | 4MSN | Ki = 94 uM | 2ZQ | C9 H6 N2 O2 | c1cc2cccnc.... |
183 | 4XY2 | ic50 = 8 nM | 490 | C25 H23 N5 O2 | Cn1cc(c(n1.... |
184 | 5LAQ | Ki = 0.63 nM | 6M5 | C33 H40 N6 O4 | COc1ccc(cc.... |
185 | 3SHZ | ic50 = 35.9 nM | 5CO | C20 H27 Cl N4 O4 S | CCCOc1ccc(.... |
186 | 4G2W | ic50 = 1.6 nM | NI0 | C22 H32 N4 O4 S | CCCOc1ccc(.... |
187 | 3QI4 | ic50 = 117.2 uM | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
188 | 4QGE | Ki = 0.5 nM | 35O | C20 H24 N6 O3 | C[C@H](C(=.... |
189 | 3QI3 | - | PDB | C15 H12 Cl F3 N4 O | C[C@H](CC1.... |
190 | 4Y86 | ic50 = 58 nM | 49E | C18 H20 Cl N5 O | CC(c1ccc(c.... |
191 | 3ECN | ic50 = 698 uM | IBM | C10 H14 N4 O2 | CC(C)CN1c2.... |
192 | 3HQW | ic50 = 35 nM | PF4 | C21 H18 N2 O2 S | COc1ccc(cc.... |
193 | 3QPO | ic50 = 247 nM | PFR | C27 H28 N4 O2 | COc1cc2c(c.... |
194 | 2OVV | Ki = 12 nM | PFH | C24 H23 N3 O3 | COc1cc2c(c.... |
195 | 3HR1 | ic50 = 0.37 nM | PF9 | C25 H20 N4 O | Cn1cc(c(n1.... |
196 | 3QPN | ic50 = 17 nM | PFK | C20 H17 N3 O2 | COc1cc2cnc.... |
197 | 3HQZ | ic50 = 0.42 nM | PF8 | C24 H18 N4 O | c1ccc2c(c1.... |
198 | 2O8H | Ki = 25 nM | 227 | C24 H29 N5 O4 S | CN1CCN(CC1.... |
199 | 3HQY | ic50 = 11.5 nM | PF6 | C25 H20 N4 O | c1ccc2c(c1.... |
200 | 2OVY | Ki = 4 nM | PFJ | C22 H21 N5 O3 | COc1cc2c(c.... |
201 | 3QPP | ic50 = 12 nM | PFW | C31 H30 N4 O2 | COc1cc2c(c.... |
202 | 2QYK | ic50 = 3.3 uM | NPV | C21 H13 N3 O4 | c1cc(cc(c1.... |
203 | 3GWT | ic50 = 7.94 pM | 066 | C27 H26 N4 O5 S | Cc1cc(cc2c.... |
204 | 3WD9 | ic50 = 8.3 nM | QPC | C24 H27 N5 O2 | CC(C)(C)CN.... |
205 | 4KP6 | ic50 = 0.87 nM | 1S1 | C12 H17 N9 | CCC(CC)(C#.... |
206 | 4NW7 | ic50 = 237 nM | 2O5 | C20 H17 Cl N4 O2 | c1cc(cc(c1.... |
207 | 3FRG | ic50 = 3.98 nM | SK4 | C18 H17 N3 O4 S | COc1cccc(c.... |
208 | 1RO9 | - | 8BR | C10 H13 Br N5 O7 P | c1nc(c2c(n.... |
209 | 1XOT | ic50 = 3.8 uM | VDN | C23 H32 N6 O4 S | CCCc1nc(c2.... |
210 | 1XLX | ic50 = 0.025 uM | CIO | C20 H25 N O4 | COc1ccc(cc.... |
211 | 3O57 | ic50 = 79.4 pM | ZG2 | C29 H34 N6 O3 | CCn1c2c(cn.... |
212 | 3HMV | - | HBT | C17 H17 N3 O4 S | C[C@H]1CCc.... |
213 | 3O56 | ic50 = 794 pM | ZG1 | C21 H27 N7 O3 | CCn1c2c(cn.... |
214 | 1XLZ | ic50 = 0.96 uM | FIL | C15 H20 N2 O4 | C/C(=NOC(=.... |
215 | 1XN0 | ic50 = 0.57 uM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
216 | 1TB5 | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
217 | 3D3P | ic50 = 3.1 nM | 20A | C21 H25 N5 O2 | CCn1c2c(cn.... |
218 | 3W5E | ic50 = 11 nM | NVW | C25 H28 N4 O3 S | CC(C)(C)NC.... |
219 | 4MYQ | ic50 = 32 nM | 19T | C19 H18 Cl N3 O2 S | CCc1c(nc(n.... |
220 | 2QYL | ic50 = 0.65 uM | NPV | C21 H13 N3 O4 | c1cc(cc(c1.... |
221 | 1XOS | ic50 = 20 uM | VIA | C22 H30 N6 O4 S | CCCc1c2c(n.... |
222 | 1XM6 | ic50 = 0.42 uM | 5RM | C14 H19 N O4 | CCCOc1cc(c.... |
223 | 1RO6 | Ki ~ 375 nM | ROL | C16 H21 N O3 | COc1ccc(cc.... |
224 | 1Y2H | ic50 = 0.056 uM | 6DE | C14 H15 Cl N2 O2 | CCOC(=O)c1.... |
225 | 1ROR | - | AMP | C10 H14 N5 O7 P | c1nc(c2c(n.... |
226 | 5UOY | ic50 = 0.027 uM | 8HM | C24 H27 N5 O3 S | COc1ccc(cc.... |
227 | 5W6E | ic50 = 9.1 nM | 0NY | C17 H21 N5 O2 | Cc1cc([nH].... |
228 | 5B25 | Ki = 0.058 nM | 4QJ | C29 H26 F N7 O | CN1C(=O)c2.... |
229 | 5UP0 | ic50 = 0.46 uM | 8HP | C18 H15 Cl N4 O S | c1cc(ccc1C.... |
230 | 3G4G | ic50 = 19 nM | D71 | C19 H13 N5 O4 | c1cc(cc(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | IBM | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 5OF | 0.9522 |
2 | FXH | 0.9472 |
3 | T6Z | 0.9465 |
4 | NTZ | 0.9456 |
5 | 57O | 0.9438 |
6 | 4KL | 0.9356 |
7 | QMS | 0.9345 |
8 | S3B | 0.9344 |
9 | JR2 | 0.9342 |
10 | NLA | 0.9342 |
11 | MVL | 0.9318 |
12 | 5WU | 0.9312 |
13 | PVK | 0.9304 |
14 | OUB | 0.9304 |
15 | NBG | 0.9304 |
16 | PVQ | 0.9299 |
17 | F5C | 0.9295 |
18 | 9GP | 0.9272 |
19 | M3Q | 0.9264 |
20 | 8XQ | 0.9263 |
21 | CPW | 0.9260 |
22 | DNC | 0.9260 |
23 | GIM | 0.9255 |
24 | AIN | 0.9253 |
25 | CGW | 0.9249 |
26 | KED | 0.9248 |
27 | F95 | 0.9243 |
28 | HTP | 0.9240 |
29 | KGK | 0.9230 |
30 | L7T | 0.9228 |
31 | LIP | 0.9228 |
32 | GT0 | 0.9223 |
33 | AEZ | 0.9219 |
34 | PFB | 0.9218 |
35 | LZ2 | 0.9215 |
36 | M3S | 0.9210 |
37 | 226 | 0.9208 |
38 | 5NS | 0.9204 |
39 | QM1 | 0.9203 |
40 | I4D | 0.9201 |
41 | 8GK | 0.9180 |
42 | 790 | 0.9177 |
43 | 9KH | 0.9172 |
44 | 6DP | 0.9169 |
45 | S7B | 0.9162 |
46 | LI6 | 0.9154 |
47 | 3N4 | 0.9153 |
48 | XFE | 0.9152 |
49 | 5WY | 0.9152 |
50 | FLV | 0.9147 |
51 | W8G | 0.9147 |
52 | CR1 | 0.9144 |
53 | 9KT | 0.9142 |
54 | YO5 | 0.9141 |
55 | 7B3 | 0.9141 |
56 | ZZ8 | 0.9141 |
57 | HNQ | 0.9138 |
58 | 3Y7 | 0.9137 |
59 | BA5 | 0.9128 |
60 | TTY | 0.9123 |
61 | 12B | 0.9116 |
62 | 9FQ | 0.9108 |
63 | K3Q | 0.9108 |
64 | 5NE | 0.9106 |
65 | EYA | 0.9105 |
66 | 2ZQ | 0.9104 |
67 | BK9 | 0.9102 |
68 | DPZ | 0.9097 |
69 | X8D | 0.9095 |
70 | ONZ | 0.9093 |
71 | MIG | 0.9090 |
72 | DNA | 0.9089 |
73 | 4AN | 0.9087 |
74 | ARP | 0.9083 |
75 | 537 | 0.9078 |
76 | 7ZE | 0.9077 |
77 | 64E | 0.9077 |
78 | C9E | 0.9077 |
79 | OA3 | 0.9071 |
80 | EYM | 0.9071 |
81 | GOX | 0.9069 |
82 | CG8 | 0.9067 |
83 | GTV | 0.9067 |
84 | UQ1 | 0.9066 |
85 | CKU | 0.9066 |
86 | KYA | 0.9065 |
87 | 8WZ | 0.9064 |
88 | L21 | 0.9063 |
89 | E7R | 0.9059 |
90 | 6VD | 0.9059 |
91 | 209 | 0.9059 |
92 | NCV | 0.9057 |
93 | 6HP | 0.9057 |
94 | NBV | 0.9056 |
95 | YKG | 0.9053 |
96 | 64C | 0.9052 |
97 | UFO | 0.9051 |
98 | HPT | 0.9050 |
99 | I59 | 0.9048 |
100 | G1P | 0.9048 |
101 | KLK | 0.9048 |
102 | SRO | 0.9045 |
103 | MT8 | 0.9045 |
104 | 2K8 | 0.9043 |
105 | 28S | 0.9040 |
106 | NAG | 0.9040 |
107 | HHT | 0.9036 |
108 | 64F | 0.9036 |
109 | JXZ | 0.9035 |
110 | B56 | 0.9035 |
111 | MAG | 0.9035 |
112 | NPA | 0.9032 |
113 | 4ME | 0.9032 |
114 | KJ5 | 0.9030 |
115 | 6BL | 0.9030 |
116 | ALN | 0.9030 |
117 | P9T | 0.9030 |
118 | K2P | 0.9029 |
119 | 7WR | 0.9028 |
120 | TNF | 0.9025 |
121 | CBF | 0.9025 |
122 | 680 | 0.9024 |
123 | H33 | 0.9023 |
124 | MHK | 0.9022 |
125 | KFH | 0.9021 |
126 | ZVO | 0.9020 |
127 | AC2 | 0.9020 |
128 | TNL | 0.9018 |
129 | GRX | 0.9017 |
130 | 06B | 0.9017 |
131 | G6P | 0.9014 |
132 | CIP | 0.9009 |
133 | 7FF | 0.9007 |
134 | GDL | 0.9007 |
135 | 5WX | 0.9005 |
136 | SYR | 0.9005 |
137 | 2CZ | 0.9003 |
138 | 3RI | 0.9003 |
139 | BGC | 0.9002 |
140 | APS | 0.9001 |
141 | IAC | 0.9000 |
142 | LDR | 0.9000 |
143 | 3GQ | 0.9000 |
144 | BDP | 0.8998 |
145 | 3MG | 0.8996 |
146 | EVA | 0.8996 |
147 | GP1 | 0.8995 |
148 | NDG | 0.8995 |
149 | E1K | 0.8994 |
150 | 96R | 0.8994 |
151 | 7I2 | 0.8991 |
152 | QPR | 0.8991 |
153 | CCV | 0.8989 |
154 | PYQ | 0.8988 |
155 | IBC | 0.8985 |
156 | 15L | 0.8984 |
157 | GLC | 0.8984 |
158 | 7SX | 0.8984 |
159 | MXX | 0.8983 |
160 | IPD | 0.8983 |
161 | 8S0 | 0.8980 |
162 | GCB | 0.8979 |
163 | PRZ | 0.8978 |
164 | JKZ | 0.8978 |
165 | 9AP | 0.8976 |
166 | 9UG | 0.8975 |
167 | H5B | 0.8974 |
168 | L8J | 0.8974 |
169 | GTZ | 0.8973 |
170 | JYT | 0.8973 |
171 | 7ZC | 0.8972 |
172 | B60 | 0.8970 |
173 | 18N | 0.8970 |
174 | 8VE | 0.8968 |
175 | F34 | 0.8968 |
176 | GCU | 0.8966 |
177 | 512 | 0.8965 |
178 | 3GC | 0.8965 |
179 | TQU | 0.8960 |
180 | 5V7 | 0.8959 |
181 | FA6 | 0.8953 |
182 | GOG | 0.8951 |
183 | FBG | 0.8951 |
184 | M0Q | 0.8950 |
185 | JXW | 0.8950 |
186 | JV4 | 0.8949 |
187 | O2A | 0.8947 |
188 | NID | 0.8947 |
189 | LGC | 0.8947 |
190 | 28N | 0.8946 |
191 | GFP | 0.8946 |
192 | 61M | 0.8945 |
193 | RH1 | 0.8944 |
194 | A1Y | 0.8943 |
195 | APZ | 0.8942 |
196 | G3F | 0.8941 |
197 | KIB | 0.8940 |
198 | MQB | 0.8940 |
199 | IPT | 0.8939 |
200 | PXL | 0.8938 |
201 | CFF | 0.8938 |
202 | 7CT | 0.8935 |
203 | TSR | 0.8935 |
204 | 2KA | 0.8934 |
205 | 49N | 0.8932 |
206 | 60Q | 0.8931 |
207 | 67Y | 0.8930 |
208 | SR4 | 0.8929 |
209 | MYI | 0.8929 |
210 | BY5 | 0.8929 |
211 | H7Y | 0.8927 |
212 | 3C1 | 0.8927 |
213 | KIF | 0.8926 |
214 | I6G | 0.8925 |
215 | TIY | 0.8924 |
216 | UQ | 0.8922 |
217 | BNT | 0.8922 |
218 | 8HC | 0.8921 |
219 | YSO | 0.8920 |
220 | H05 | 0.8920 |
221 | 3B4 | 0.8919 |
222 | M4B | 0.8917 |
223 | GAL | 0.8917 |
224 | VK3 | 0.8917 |
225 | 2SX | 0.8917 |
226 | XM5 | 0.8916 |
227 | KBG | 0.8915 |
228 | LOG | 0.8914 |
229 | 2JK | 0.8913 |
230 | GCS | 0.8913 |
231 | SHG | 0.8913 |
232 | 67X | 0.8911 |
233 | NDM | 0.8911 |
234 | VYM | 0.8911 |
235 | JXK | 0.8911 |
236 | LTM | 0.8909 |
237 | 15A | 0.8909 |
238 | UAN | 0.8908 |
239 | 96U | 0.8906 |
240 | RXA | 0.8906 |
241 | ALR | 0.8905 |
242 | M0W | 0.8903 |
243 | 1X8 | 0.8901 |
244 | EOL | 0.8898 |
245 | HQD | 0.8895 |
246 | 30G | 0.8894 |
247 | TRF | 0.8892 |
248 | XJE | 0.8892 |
249 | GC2 | 0.8888 |
250 | K68 | 0.8888 |
251 | MAQ | 0.8885 |
252 | GO0 | 0.8883 |
253 | THA | 0.8882 |
254 | 772 | 0.8882 |
255 | PEY | 0.8881 |
256 | FSU | 0.8880 |
257 | X04 | 0.8879 |
258 | NQH | 0.8879 |
259 | CKA | 0.8878 |
260 | M02 | 0.8878 |
261 | SYA | 0.8877 |
262 | C2Y | 0.8877 |
263 | 5PX | 0.8876 |
264 | O2Y | 0.8876 |
265 | XQK | 0.8875 |
266 | EXL | 0.8875 |
267 | 4XV | 0.8875 |
268 | EJZ | 0.8874 |
269 | 8MO | 0.8874 |
270 | GSY | 0.8870 |
271 | NQ | 0.8869 |
272 | 61O | 0.8869 |
273 | 3C2 | 0.8868 |
274 | TEP | 0.8867 |
275 | GPM | 0.8866 |
276 | BB4 | 0.8866 |
277 | 7VS | 0.8866 |
278 | 3Z8 | 0.8865 |
279 | 774 | 0.8864 |
280 | PH2 | 0.8861 |
281 | JUG | 0.8859 |
282 | 3J8 | 0.8858 |
283 | HJB | 0.8858 |
284 | SNG | 0.8856 |
285 | 9F8 | 0.8855 |
286 | 0FK | 0.8855 |
287 | AP4 | 0.8855 |
288 | 54X | 0.8854 |
289 | G1O | 0.8853 |
290 | 0N7 | 0.8851 |
291 | ZYR | 0.8851 |
292 | EY7 | 0.8851 |
293 | JUO | 0.8850 |
294 | NVU | 0.8849 |
295 | 582 | 0.8849 |
296 | MBG | 0.8848 |
297 | 7M6 | 0.8847 |
298 | MT5 | 0.8846 |
299 | 2LY | 0.8845 |
300 | GL1 | 0.8840 |
301 | PLP | 0.8839 |
302 | DBJ | 0.8838 |
303 | 2J9 | 0.8838 |
304 | NGO | 0.8838 |
305 | DK1 | 0.8838 |
306 | AA | 0.8838 |
307 | UXH | 0.8838 |
308 | HLZ | 0.8837 |
309 | GV9 | 0.8837 |
310 | 2D3 | 0.8833 |
311 | H6B | 0.8832 |
312 | 9PY | 0.8831 |
313 | HHR | 0.8831 |
314 | 4XS | 0.8830 |
315 | JYK | 0.8830 |
316 | AM1 | 0.8829 |
317 | 4MX | 0.8829 |
318 | UEG | 0.8826 |
319 | 4MU | 0.8826 |
320 | 5RO | 0.8826 |
321 | GYP | 0.8826 |
322 | D07 | 0.8826 |
323 | 11G | 0.8826 |
324 | AZ9 | 0.8822 |
325 | JTH | 0.8820 |
326 | 2KU | 0.8820 |
327 | 2MN | 0.8818 |
328 | 4B0 | 0.8816 |
329 | VC2 | 0.8816 |
330 | 44V | 0.8812 |
331 | F6P | 0.8812 |
332 | GI3 | 0.8811 |
333 | 6J9 | 0.8810 |
334 | ST1 | 0.8805 |
335 | IOS | 0.8803 |
336 | ANF | 0.8803 |
337 | PRF | 0.8803 |
338 | PE0 | 0.8802 |
339 | TSS | 0.8800 |
340 | S3C | 0.8800 |
341 | TWB | 0.8798 |
342 | M5N | 0.8798 |
343 | 2FQ | 0.8797 |
344 | QZ8 | 0.8796 |
345 | FDR | 0.8795 |
346 | 6ME | 0.8795 |
347 | M1H | 0.8793 |
348 | N8Y | 0.8793 |
349 | MQG | 0.8792 |
350 | F12 | 0.8791 |
351 | 091 | 0.8791 |
352 | GLS | 0.8787 |
353 | ZON | 0.8787 |
354 | AO6 | 0.8786 |
355 | C2U | 0.8785 |
356 | 2LB | 0.8784 |
357 | 1X7 | 0.8783 |
358 | AQO | 0.8781 |
359 | JP2 | 0.8779 |
360 | GLG | 0.8779 |
361 | Q6T | 0.8777 |
362 | HLD | 0.8776 |
363 | PXP | 0.8775 |
364 | B62 | 0.8775 |
365 | NGT | 0.8774 |
366 | JAK | 0.8773 |
367 | KFN | 0.8773 |
368 | FDB | 0.8773 |
369 | CLZ | 0.8771 |
370 | BG6 | 0.8771 |
371 | 1QP | 0.8769 |
372 | 505 | 0.8769 |
373 | GDE | 0.8769 |
374 | 2L3 | 0.8768 |
375 | 9BF | 0.8768 |
376 | PHH | 0.8767 |
377 | INE | 0.8767 |
378 | S0G | 0.8766 |
379 | MEW | 0.8766 |
380 | BM3 | 0.8763 |
381 | AZ8 | 0.8763 |
382 | 4XY | 0.8762 |
383 | BRV | 0.8762 |
384 | LP8 | 0.8761 |
385 | XHP | 0.8761 |
386 | M5K | 0.8761 |
387 | FOT | 0.8761 |
388 | MOK | 0.8760 |
389 | FWB | 0.8759 |
390 | GL4 | 0.8759 |
391 | 42C | 0.8758 |
392 | MM2 | 0.8757 |
393 | SBK | 0.8757 |
394 | 0LH | 0.8757 |
395 | 2CL | 0.8756 |
396 | NTM | 0.8756 |
397 | 25O | 0.8755 |
398 | 3IT | 0.8755 |
399 | 4HC | 0.8755 |
400 | 5JT | 0.8755 |
401 | F52 | 0.8755 |
402 | ZZZ | 0.8755 |
403 | JY2 | 0.8754 |
404 | JYW | 0.8752 |
405 | LZB | 0.8751 |
406 | MIF | 0.8750 |
407 | 68A | 0.8749 |
408 | DNF | 0.8748 |
409 | TWO | 0.8747 |
410 | TRP | 0.8747 |
411 | 5VJ | 0.8745 |
412 | AKH | 0.8745 |
413 | 8W9 | 0.8745 |
414 | JXN | 0.8745 |
415 | Z5P | 0.8744 |
416 | 44W | 0.8743 |
417 | JF2 | 0.8742 |
418 | B57 | 0.8740 |
419 | AJ2 | 0.8740 |
420 | 1FF | 0.8740 |
421 | KG1 | 0.8740 |
422 | AY4 | 0.8739 |
423 | GI1 | 0.8739 |
424 | EMZ | 0.8735 |
425 | 2F8 | 0.8733 |
426 | DBQ | 0.8732 |
427 | OMD | 0.8731 |
428 | 2EC | 0.8731 |
429 | HHS | 0.8729 |
430 | VXX | 0.8729 |
431 | 1SS | 0.8729 |
432 | KJY | 0.8728 |
433 | 37T | 0.8728 |
434 | JF1 | 0.8726 |
435 | QX4 | 0.8726 |
436 | VNL | 0.8726 |
437 | RVE | 0.8724 |
438 | HJP | 0.8721 |
439 | L1Q | 0.8721 |
440 | BPU | 0.8721 |
441 | IJZ | 0.8721 |
442 | OSB | 0.8720 |
443 | TVP | 0.8720 |
444 | GHM | 0.8720 |
445 | I3C | 0.8720 |
446 | 92P | 0.8718 |
447 | Q5M | 0.8717 |
448 | HBO | 0.8717 |
449 | NGA | 0.8717 |
450 | KTW | 0.8716 |
451 | ASE | 0.8714 |
452 | MNS | 0.8712 |
453 | AKD | 0.8711 |
454 | LT8 | 0.8711 |
455 | K32 | 0.8711 |
456 | MMA | 0.8710 |
457 | KIA | 0.8708 |
458 | DQU | 0.8708 |
459 | HWH | 0.8707 |
460 | P84 | 0.8704 |
461 | 9UL | 0.8702 |
462 | QQQ | 0.8702 |
463 | 5RN | 0.8701 |
464 | 49O | 0.8699 |
465 | CTE | 0.8698 |
466 | 6XI | 0.8696 |
467 | ZYV | 0.8696 |
468 | MAN | 0.8695 |
469 | R6T | 0.8694 |
470 | IBF | 0.8692 |
471 | HKD | 0.8692 |
472 | F69 | 0.8691 |
473 | 1HN | 0.8690 |
474 | 1U7 | 0.8686 |
475 | FA3 | 0.8683 |
476 | BMA | 0.8683 |
477 | PX7 | 0.8683 |
478 | EXR | 0.8683 |
479 | 9LI | 0.8683 |
480 | 7NI | 0.8682 |
481 | HA7 | 0.8680 |
482 | CLU | 0.8679 |
483 | PQ0 | 0.8679 |
484 | 7ME | 0.8679 |
485 | DTE | 0.8679 |
486 | 948 | 0.8678 |
487 | V55 | 0.8678 |
488 | 4RU | 0.8677 |
489 | 0P6 | 0.8676 |
490 | E35 | 0.8675 |
491 | GNV | 0.8674 |
492 | BNX | 0.8672 |
493 | 7VJ | 0.8671 |
494 | JU2 | 0.8669 |
495 | 4TU | 0.8669 |
496 | 4OG | 0.8665 |
497 | 1U6 | 0.8665 |
498 | GTL | 0.8664 |
499 | PXM | 0.8664 |
500 | PMP | 0.8661 |
501 | AMG | 0.8661 |
502 | TOF | 0.8660 |
503 | XH2 | 0.8660 |
504 | FUJ | 0.8658 |
505 | B4O | 0.8657 |
506 | RB2 | 0.8657 |
507 | M6P | 0.8657 |
508 | LSA | 0.8657 |
509 | 465 | 0.8655 |
510 | BZM | 0.8655 |
511 | MO8 | 0.8655 |
512 | MUR | 0.8654 |
513 | IOP | 0.8652 |
514 | ZME | 0.8650 |
515 | DIU | 0.8650 |
516 | MM1 | 0.8649 |
517 | 15N | 0.8648 |
518 | GTR | 0.8645 |
519 | CMU | 0.8642 |
520 | DTR | 0.8642 |
521 | SG2 | 0.8640 |
522 | NPL | 0.8640 |
523 | NIP | 0.8639 |
524 | 3C4 | 0.8639 |
525 | DQA | 0.8639 |
526 | M1P | 0.8638 |
527 | 878 | 0.8638 |
528 | 2H5 | 0.8638 |
529 | 0F9 | 0.8636 |
530 | BPS | 0.8636 |
531 | DHK | 0.8636 |
532 | S0I | 0.8636 |
533 | EGR | 0.8635 |
534 | M1E | 0.8635 |
535 | 8DA | 0.8635 |
536 | CSN | 0.8635 |
537 | 7MX | 0.8634 |
538 | 149 | 0.8633 |
539 | 8WT | 0.8632 |
540 | V1T | 0.8632 |
541 | DEE | 0.8632 |
542 | KDO | 0.8632 |
543 | QNA | 0.8630 |
544 | S8A | 0.8629 |
545 | OTD | 0.8628 |
546 | 22L | 0.8626 |
547 | 2AN | 0.8625 |
548 | SBI | 0.8624 |
549 | M2K | 0.8622 |
550 | A0O | 0.8621 |
551 | DQN | 0.8619 |
552 | 78P | 0.8619 |
553 | B52 | 0.8617 |
554 | P0P | 0.8616 |
555 | MNP | 0.8616 |
556 | ML1 | 0.8614 |
557 | K37 | 0.8611 |
558 | MXD | 0.8610 |
559 | LAO | 0.8610 |
560 | S3P | 0.8608 |
561 | GIV | 0.8606 |
562 | 9MG | 0.8606 |
563 | ONR | 0.8605 |
564 | KP6 | 0.8605 |
565 | G12 | 0.8603 |
566 | KDM | 0.8601 |
567 | GLA | 0.8599 |
568 | 2FG | 0.8598 |
569 | HA5 | 0.8597 |
570 | FUZ | 0.8596 |
571 | 4NO | 0.8595 |
572 | 89J | 0.8595 |
573 | K17 | 0.8590 |
574 | TBS | 0.8590 |
575 | 55D | 0.8588 |
576 | FE DB1 | 0.8587 |
577 | UFV | 0.8584 |
578 | QSH | 0.8583 |
579 | Q7A | 0.8577 |
580 | A2G | 0.8575 |
581 | KP2 | 0.8574 |
582 | N7I | 0.8570 |
583 | 39A | 0.8570 |
584 | 4WF | 0.8570 |
585 | 8NX | 0.8569 |
586 | CKX | 0.8567 |
587 | GNJ | 0.8566 |
588 | SXS | 0.8562 |
589 | PQZ | 0.8562 |
590 | PYU | 0.8561 |
591 | 1Z8 | 0.8560 |
592 | YIO | 0.8560 |
593 | GCV | 0.8555 |
594 | K25 | 0.8554 |
595 | 9X5 | 0.8553 |
596 | SFU | 0.8552 |
597 | HMD | 0.8551 |
598 | JAA | 0.8549 |
599 | MM5 | 0.8548 |
600 | DY5 | 0.8547 |
601 | ALL | 0.8546 |
602 | M4E | 0.8546 |
603 | F1A | 0.8545 |
604 | 1GN | 0.8545 |
605 | 3LJ | 0.8544 |
606 | 23J | 0.8540 |
607 | RPQ | 0.8537 |
608 | 692 | 0.8536 |
609 | 0W8 | 0.8536 |
610 | HZQ | 0.8530 |
611 | Q77 | 0.8523 |
612 | ADA | 0.8523 |
613 | ZB1 | 0.8521 |
614 | 39U | 0.8520 |
615 | MCO | 0.8517 |
616 | 6R8 | 0.8517 |
617 | DHY | 0.8512 |
618 | HBI | 0.8511 |
This union binding pocket(no: 1) in the query (biounit: 3tge.bio1) has 55 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6LM1 | OCT | 1.5444 |
2 | 6LM1 | D10 | 1.5444 |