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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 101 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 | 2XF0 | ic50 = 30 uM | 4UB | C15 H11 N5 | c1ccc(cc1).... |
38 | 2YM6 | ic50 = 0.88 uM | YM6 | C14 H16 N6 O | c1cncc2c1c.... |
39 | 6FCK | ic50 = 0.031 uM | D4Z | C20 H22 N4 O | c1ccc(cc1).... |
40 | 4QYG | ic50 = 0.0041 uM | 3DW | C22 H21 N5 O2 | CN1CCN(CC1.... |
41 | 3TKH | ic50 = 47 nM | 07S | C23 H27 N7 O2 S | c1cc(cnc1).... |
42 | 2XEZ | ic50 = 1.5 uM | XEZ | C12 H9 N7 | c1c[nH]nc1.... |
43 | 2HXL | ic50 = 12 nM | 422 | C23 H24 N6 | c1cc2c(cc1.... |
44 | 5OQ7 | Ki = 0.322 uM | A0Q | C24 H26 N4 O2 | CN1CCN(CC1.... |
45 | 5F4N | ic50 = 2.2 nM | 5UY | C17 H19 N7 O3 | COC(=O)c1c.... |
46 | 2E9N | ic50 = 6.2 nM | 76A | C29 H27 N3 O3 | c1cc(ccc1c.... |
47 | 2YM3 | ic50 = 1.2 uM | YM3 | C14 H19 N5 O3 | CCOC(=O)c1.... |
48 | 2YDI | - | YDI | C16 H20 N4 O3 S | CN(C)CCOc1.... |
49 | 5OP5 | Ki = 0.216 uM | 3FE | C17 H15 N5 O | c1cc(cc(c1.... |
50 | 3NLB | ic50 = 35 nM | 5BE | C21 H28 N6 O | Cc1c(c([nH.... |
51 | 3JVR | Ki = 1.89 uM | AGX | C16 H13 Cl2 N3 O2 | C[C@@H](c1.... |
52 | 2WMX | ic50 = 0.86 uM | ZY6 | C17 H19 N5 O | c1ccc(cc1).... |
53 | 2C3J | Ki = 0.659 uM | DBQ | C11 H11 N5 O2 | c1c[nH]c2c.... |
54 | 2YM7 | ic50 = 0.13 uM | YM7 | C15 H18 N8 | c1c(ncnc1N.... |
55 | 2X8I | ic50 = 0.19 uM | X8I | C17 H13 N3 O2 | CC1=CC2=NN.... |
56 | 2YDJ | ic50 = 0.005 uM | YDJ | C17 H19 F N4 O2 S | c1cc(cc(c1.... |
57 | 4QYE | ic50 = 1.2 uM | 3DL | C17 H12 N2 O3 | c1cc(cc(c1.... |
58 | 5OP7 | - | A1K | C19 H21 Cl N6 O3 | CNc1c2c(c[.... |
59 | 5OOP | - | ANP | C10 H17 N6 O12 P3 | c1nc(c2c(n.... |
60 | 5OPR | Ki = 2.56 uM | A3E | C21 H26 N6 O | CC(C)n1cc(.... |
61 | 2BRG | ic50 = 6.1 uM | DFY | C21 H19 N3 O2 | CN(CCO)c1c.... |
62 | 5OQ5 | Ki = 0.02 uM | 4K4 | C31 H38 N8 O3 | CN1CCN(CC1.... |
63 | 2CGU | ic50 = 13.4 uM | 3A3 | C17 H13 N O7 | c1cc-2c(cc.... |
64 | 2WMR | ic50 = 52 uM | ZYR | C10 H10 N2 O S | C1CCc2c(c3.... |
65 | 3PA5 | ic50 = 2 nM | C73 | C17 H19 Cl N4 O2 S | c1cc(ccc1c.... |
66 | 2WMV | ic50 = 9.2 uM | ZYV | C10 H14 N6 O | c1[nH]c2c(.... |
67 | 5OQ8 | Ki = 1.41 uM | A0Q | C24 H26 N4 O2 | CN1CCN(CC1.... |
68 | 2CGX | ic50 = 15.6 uM | 3D3 | C7 H8 N6 O S | c1nc(c2c(n.... |
69 | 4QYF | - | 3DV | C17 H13 N3 O3 | c1cc(cc(c1.... |
70 | 5OPS | Ki = 0.863 uM | A3Q | C14 H9 N3 O | c1cc(cc(c1.... |
71 | 3JVS | Kd = 0.29 uM | AGY | C22 H22 N4 O4 | CC(C)(C)c1.... |
72 | 2WMW | ic50 = 0.39 uM | ZYW | C11 H14 Br N5 O | c1c2c(c(cn.... |
73 | 2BR1 | Ki = 7.2 uM | PFP | C22 H21 N3 O4 | COc1ccc(cc.... |
74 | 2C3L | Ki = 8.58 uM | IDZ | C14 H10 N4 | c1ccc2c(c1.... |
75 | 5OP2 | Ki = 0.24 uM | A0Q | C24 H26 N4 O2 | CN1CCN(CC1.... |
76 | 2X8E | ic50 = 0.014 uM | X8E | C16 H12 N4 O | CC1=CC2=NN.... |
77 | 2X8D | ic50 = 0.8 uM | X8D | C11 H9 N3 O | CC1=CC2=NN.... |
78 | 2YEX | ic50 = 0.0001 uM | YEX | C15 H12 N4 O | CC1=CC2=NN.... |
79 | 2BRM | Ki = 1.3 uM | DFZ | C20 H18 N4 O | c1ccc(cc1).... |
80 | 1NVQ | Ki = 5.6 nM | UCN | C28 H26 N4 O4 | C[C@@]12[C.... |
81 | 5OOR | - | STU | C28 H26 N4 O3 | C[C@@]12[C.... |
82 | 3PA4 | ic50 = 3 nM | C72 | C19 H19 Cl N4 O S | c1cc(ccc1c.... |
83 | 4RVK | ic50 = 13.5 nM | 3XK | C19 H13 N5 O | CC(=O)Nc1c.... |
84 | 2HOG | ic50 = 0.3 nM | 710 | C24 H25 N7 O | c1cc2c(cc1.... |
85 | 6FC8 | ic50 = 0.012 uM | D4Q | C19 H19 F N4 O S | c1cc(cc(c1.... |
86 | 2HY0 | ic50 = 0.65 nM | 306 | C26 H25 N5 O | c1cc2c(cc1.... |
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.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ZYQ | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GO8 | 0.9401 |
2 | V1T | 0.9372 |
3 | 2FX | 0.9362 |
4 | ZHA | 0.9359 |
5 | MD6 | 0.9349 |
6 | GO2 | 0.9321 |
7 | 0FK | 0.9291 |
8 | ZRK | 0.9287 |
9 | N91 | 0.9286 |
10 | TMG | 0.9278 |
11 | 0SY | 0.9266 |
12 | XCG | 0.9251 |
13 | FER | 0.9247 |
14 | FF2 | 0.9243 |
15 | EQA | 0.9242 |
16 | QIV | 0.9240 |
17 | KTW | 0.9219 |
18 | HHS | 0.9208 |
19 | 2K8 | 0.9203 |
20 | BGU | 0.9195 |
21 | Y3L | 0.9192 |
22 | B21 | 0.9180 |
23 | 3VX | 0.9179 |
24 | 3D3 | 0.9177 |
25 | IOP | 0.9176 |
26 | X0U | 0.9171 |
27 | JP2 | 0.9170 |
28 | A5H | 0.9164 |
29 | 5TY | 0.9160 |
30 | 5V7 | 0.9156 |
31 | S60 | 0.9150 |
32 | JF1 | 0.9134 |
33 | 0FR | 0.9134 |
34 | M78 | 0.9131 |
35 | 6QF | 0.9130 |
36 | BGP | 0.9129 |
37 | N7I | 0.9129 |
38 | 6FB | 0.9125 |
39 | YE6 | 0.9125 |
40 | 6J5 | 0.9124 |
41 | 4AB | 0.9119 |
42 | ZSP | 0.9111 |
43 | N2M | 0.9109 |
44 | H2B | 0.9108 |
45 | HBI | 0.9108 |
46 | ANC | 0.9102 |
47 | ESI | 0.9097 |
48 | K7H | 0.9096 |
49 | YE7 | 0.9096 |
50 | 0JD | 0.9094 |
51 | J38 | 0.9092 |
52 | HBO | 0.9082 |
53 | N1E | 0.9080 |
54 | 8HC | 0.9077 |
55 | MJW | 0.9077 |
56 | H4B | 0.9075 |
57 | 5WT | 0.9075 |
58 | BDI | 0.9071 |
59 | F5C | 0.9069 |
60 | 774 | 0.9068 |
61 | 9ZE | 0.9064 |
62 | GZ2 | 0.9049 |
63 | 8NB | 0.9045 |
64 | 68A | 0.9043 |
65 | BZJ | 0.9042 |
66 | BQ2 | 0.9041 |
67 | ITE | 0.9040 |
68 | KMY | 0.9032 |
69 | DHC | 0.9031 |
70 | 344 | 0.9030 |
71 | GJK | 0.9029 |
72 | PH2 | 0.9028 |
73 | G14 | 0.9026 |
74 | K97 | 0.9026 |
75 | M6P | 0.9025 |
76 | 2GQ | 0.9020 |
77 | CIY | 0.9019 |
78 | IL5 | 0.9014 |
79 | GZV | 0.9011 |
80 | LL1 | 0.9008 |
81 | FCD | 0.9005 |
82 | ZRL | 0.9005 |
83 | 8G6 | 0.9003 |
84 | DRG | 0.9001 |
85 | 4FE | 0.9000 |
86 | X0W | 0.8999 |
87 | 6Q3 | 0.8998 |
88 | EE8 | 0.8995 |
89 | SG2 | 0.8991 |
90 | D9Z | 0.8989 |
91 | CNI | 0.8988 |
92 | 15N | 0.8977 |
93 | HRM | 0.8977 |
94 | DNF | 0.8976 |
95 | 2WU | 0.8974 |
96 | 2JK | 0.8974 |
97 | E3X | 0.8973 |
98 | G6P | 0.8973 |
99 | ALE | 0.8972 |
100 | 5VU | 0.8971 |
101 | M5H | 0.8970 |
102 | PLP | 0.8968 |
103 | 3Y7 | 0.8966 |
104 | GHM | 0.8964 |
105 | S0D | 0.8960 |
106 | 4KL | 0.8959 |
107 | XI7 | 0.8957 |
108 | ZME | 0.8954 |
109 | KLS | 0.8953 |
110 | UFO | 0.8953 |
111 | 5SJ | 0.8951 |
112 | 2JX | 0.8950 |
113 | ONZ | 0.8950 |
114 | N8Y | 0.8949 |
115 | S98 | 0.8946 |
116 | HHR | 0.8946 |
117 | CHQ | 0.8944 |
118 | 363 | 0.8944 |
119 | 8W9 | 0.8944 |
120 | CX6 | 0.8944 |
121 | 2P3 | 0.8942 |
122 | 5GV | 0.8941 |
123 | HNT | 0.8939 |
124 | JCZ | 0.8939 |
125 | X48 | 0.8937 |
126 | PPY | 0.8936 |
127 | NEU | 0.8934 |
128 | MXD | 0.8929 |
129 | GJP | 0.8929 |
130 | 92P | 0.8929 |
131 | GNM | 0.8929 |
132 | WUB | 0.8928 |
133 | JGB | 0.8925 |
134 | C0W | 0.8925 |
135 | 2PK | 0.8924 |
136 | ZIP | 0.8923 |
137 | BZE | 0.8922 |
138 | ZYR | 0.8920 |
139 | E1T | 0.8920 |
140 | 3J8 | 0.8920 |
141 | R9Y | 0.8918 |
142 | AOY | 0.8916 |
143 | 4I8 | 0.8915 |
144 | 9R5 | 0.8913 |
145 | ZEA | 0.8912 |
146 | VXX | 0.8912 |
147 | 6ZW | 0.8912 |
148 | JG8 | 0.8910 |
149 | 1QV | 0.8908 |
150 | BIO | 0.8908 |
151 | EYV | 0.8908 |
152 | TOH | 0.8904 |
153 | TJM | 0.8903 |
154 | 8WT | 0.8903 |
155 | PIQ | 0.8903 |
156 | 4R1 | 0.8901 |
157 | 9UL | 0.8901 |
158 | 3VQ | 0.8900 |
159 | 795 | 0.8900 |
160 | ESX | 0.8899 |
161 | TCR | 0.8897 |
162 | AMR | 0.8896 |
163 | 4BY | 0.8895 |
164 | OCZ | 0.8893 |
165 | BZ2 | 0.8893 |
166 | HA5 | 0.8892 |
167 | 3VS | 0.8891 |
168 | BPY | 0.8890 |
169 | BG6 | 0.8889 |
170 | AZM | 0.8888 |
171 | TRP | 0.8886 |
172 | THA | 0.8885 |
173 | 54X | 0.8884 |
174 | DXK | 0.8882 |
175 | TIA | 0.8881 |
176 | 5NN | 0.8881 |
177 | GF4 | 0.8879 |
178 | 55D | 0.8878 |
179 | SKF | 0.8876 |
180 | 3D8 | 0.8876 |
181 | BP7 | 0.8876 |
182 | C9E | 0.8873 |
183 | P7Y | 0.8873 |
184 | 4NO | 0.8871 |
185 | 7I2 | 0.8870 |
186 | EN1 | 0.8869 |
187 | N0Z | 0.8868 |
188 | SLS | 0.8867 |
189 | HX4 | 0.8865 |
190 | AN3 | 0.8864 |
191 | B1J | 0.8864 |
192 | ZZA | 0.8863 |
193 | 5E5 | 0.8861 |
194 | 8NX | 0.8860 |
195 | DAH | 0.8860 |
196 | IOS | 0.8858 |
197 | 8MP | 0.8858 |
198 | DNQ | 0.8857 |
199 | 3ZB | 0.8850 |
200 | M4E | 0.8850 |
201 | 9BF | 0.8848 |
202 | JF2 | 0.8848 |
203 | PRL | 0.8848 |
204 | DNA | 0.8848 |
205 | 6N4 | 0.8846 |
206 | L22 | 0.8846 |
207 | 27B | 0.8844 |
208 | 7ZL | 0.8844 |
209 | 4Z9 | 0.8844 |
210 | H35 | 0.8844 |
211 | GLP | 0.8844 |
212 | PMP | 0.8843 |
213 | AJG | 0.8843 |
214 | YTX | 0.8843 |
215 | IAC | 0.8842 |
216 | 9FL | 0.8841 |
217 | 7AP | 0.8839 |
218 | K25 | 0.8838 |
219 | 78Y | 0.8836 |
220 | 6KT | 0.8836 |
221 | ODK | 0.8835 |
222 | 2PV | 0.8835 |
223 | 6HP | 0.8834 |
224 | LEL | 0.8834 |
225 | 4RU | 0.8833 |
226 | DTR | 0.8832 |
227 | KLV | 0.8832 |
228 | EXD | 0.8831 |
229 | JF8 | 0.8831 |
230 | 61M | 0.8831 |
231 | 4AU | 0.8829 |
232 | 0W1 | 0.8827 |
233 | RA7 | 0.8825 |
234 | 4BX | 0.8824 |
235 | M6D | 0.8821 |
236 | QX4 | 0.8821 |
237 | GI3 | 0.8820 |
238 | MFR | 0.8820 |
239 | BHS | 0.8820 |
240 | UAY | 0.8820 |
241 | B2E | 0.8819 |
242 | 8ZE | 0.8819 |
243 | HC4 | 0.8818 |
244 | F2W | 0.8816 |
245 | 2HC | 0.8815 |
246 | 2O6 | 0.8813 |
247 | 1F1 | 0.8813 |
248 | N2I | 0.8812 |
249 | S8G | 0.8811 |
250 | SQ4 | 0.8810 |
251 | NEO | 0.8809 |
252 | JMG | 0.8808 |
253 | 6TJ | 0.8807 |
254 | ESP | 0.8806 |
255 | 3GX | 0.8805 |
256 | E7S | 0.8804 |
257 | A29 | 0.8803 |
258 | D8Q | 0.8802 |
259 | VM1 | 0.8801 |
260 | MUK | 0.8800 |
261 | A7H | 0.8800 |
262 | FZM | 0.8799 |
263 | GXD | 0.8798 |
264 | P4L | 0.8798 |
265 | TWO | 0.8795 |
266 | CH9 | 0.8795 |
267 | N9J | 0.8793 |
268 | F40 | 0.8792 |
269 | 1AJ | 0.8790 |
270 | 8XL | 0.8790 |
271 | P81 | 0.8790 |
272 | KLK | 0.8789 |
273 | GB4 | 0.8789 |
274 | 1L5 | 0.8788 |
275 | 1A7 | 0.8788 |
276 | LZ5 | 0.8788 |
277 | CXH | 0.8788 |
278 | 9CA | 0.8786 |
279 | FC2 | 0.8785 |
280 | 9FE | 0.8785 |
281 | CR1 | 0.8783 |
282 | B56 | 0.8781 |
283 | 0HN | 0.8779 |
284 | X04 | 0.8778 |
285 | SQ7 | 0.8778 |
286 | 1HN | 0.8776 |
287 | 428 | 0.8776 |
288 | 0HO | 0.8776 |
289 | C53 | 0.8775 |
290 | IPD | 0.8775 |
291 | 4BL | 0.8772 |
292 | C4E | 0.8772 |
293 | 12T | 0.8771 |
294 | ANF | 0.8770 |
295 | 1Z6 | 0.8770 |
296 | A5Q | 0.8770 |
297 | 5WS | 0.8769 |
298 | 0UL | 0.8769 |
299 | NAG | 0.8768 |
300 | 1M2 | 0.8767 |
301 | AY4 | 0.8767 |
302 | DBQ | 0.8766 |
303 | 1IT | 0.8765 |
304 | ENO | 0.8765 |
305 | 1QP | 0.8763 |
306 | MBP | 0.8763 |
307 | GI1 | 0.8763 |
308 | 4HB | 0.8760 |
309 | 657 | 0.8760 |
310 | AC2 | 0.8759 |
311 | 5GT | 0.8758 |
312 | WS6 | 0.8758 |
313 | 2D2 | 0.8758 |
314 | 7MW | 0.8758 |
315 | PJW | 0.8757 |
316 | KDV | 0.8755 |
317 | 3R6 | 0.8754 |
318 | KYN | 0.8754 |
319 | R20 | 0.8753 |
320 | NK5 | 0.8750 |
321 | 1PS | 0.8750 |
322 | 8VR | 0.8749 |
323 | 3R4 | 0.8749 |
324 | WS7 | 0.8747 |
325 | 4FF | 0.8747 |
326 | BPU | 0.8747 |
327 | FHV | 0.8745 |
328 | M6Z | 0.8745 |
329 | DK1 | 0.8745 |
330 | 1FE | 0.8744 |
331 | 5TZ | 0.8744 |
332 | FQX | 0.8742 |
333 | UNJ | 0.8741 |
334 | J6W | 0.8741 |
335 | YZM | 0.8740 |
336 | 537 | 0.8740 |
337 | 30G | 0.8738 |
338 | JAH | 0.8738 |
339 | PUE | 0.8737 |
340 | 7MX | 0.8737 |
341 | H7Y | 0.8737 |
342 | EVF | 0.8736 |
343 | JTA | 0.8736 |
344 | GNV | 0.8735 |
345 | TYR | 0.8733 |
346 | AH9 | 0.8732 |
347 | 3SU | 0.8732 |
348 | 549 | 0.8731 |
349 | EMZ | 0.8729 |
350 | 4MB | 0.8728 |
351 | 4LW | 0.8728 |
352 | H5B | 0.8728 |
353 | Q0K | 0.8727 |
354 | S0E | 0.8727 |
355 | K3Q | 0.8725 |
356 | PLP PMP | 0.8724 |
357 | I2E | 0.8724 |
358 | PTS | 0.8723 |
359 | 0NX | 0.8723 |
360 | C9M | 0.8722 |
361 | F02 | 0.8721 |
362 | IWT | 0.8720 |
363 | YZ9 | 0.8719 |
364 | 1BW | 0.8717 |
365 | F18 | 0.8714 |
366 | 2J1 | 0.8712 |
367 | FDR | 0.8711 |
368 | PXP | 0.8710 |
369 | RSV | 0.8710 |
370 | PEY | 0.8708 |
371 | 5B2 | 0.8707 |
372 | AA | 0.8706 |
373 | 6FG | 0.8706 |
374 | LTN | 0.8706 |
375 | WLH | 0.8705 |
376 | LR2 | 0.8703 |
377 | WV7 | 0.8702 |
378 | CG | 0.8701 |
379 | E1K | 0.8701 |
380 | 3XH | 0.8701 |
381 | JAW | 0.8701 |
382 | HWH | 0.8700 |
383 | JB8 | 0.8699 |
384 | ICB | 0.8699 |
385 | BIK | 0.8699 |
386 | CK2 | 0.8698 |
387 | DEW | 0.8698 |
388 | 5WN | 0.8698 |
389 | 26C | 0.8697 |
390 | RD4 | 0.8695 |
391 | MUR | 0.8695 |
392 | JND | 0.8694 |
393 | 6MW | 0.8694 |
394 | X0T | 0.8694 |
395 | X11 | 0.8693 |
396 | 3N0 | 0.8693 |
397 | A6P | 0.8692 |
398 | GVY | 0.8691 |
399 | 6FZ | 0.8689 |
400 | 5RO | 0.8688 |
401 | TCA | 0.8688 |
402 | 4Z1 | 0.8685 |
403 | 7FU | 0.8684 |
404 | KYA | 0.8682 |
405 | GOE | 0.8679 |
406 | OSB | 0.8679 |
407 | PLR | 0.8677 |
408 | U7E | 0.8675 |
409 | 833 | 0.8675 |
410 | D6G | 0.8675 |
411 | ABF | 0.8673 |
412 | LUM | 0.8672 |
413 | 6NT | 0.8671 |
414 | 4V2 | 0.8670 |
415 | Q9T | 0.8670 |
416 | 2QC | 0.8670 |
417 | A73 | 0.8669 |
418 | FYR | 0.8669 |
419 | 22L | 0.8668 |
420 | 9OF | 0.8667 |
421 | 5F8 | 0.8667 |
422 | 4F8 | 0.8667 |
423 | 372 | 0.8666 |
424 | 8D6 | 0.8666 |
425 | STT | 0.8664 |
426 | MOK | 0.8663 |
427 | KTJ | 0.8662 |
428 | EUE | 0.8662 |
429 | 27K | 0.8661 |
430 | H4E | 0.8659 |
431 | LIP | 0.8659 |
432 | CTE | 0.8658 |
433 | 3A9 | 0.8657 |
434 | HJ7 | 0.8656 |
435 | 6SD | 0.8653 |
436 | K4V | 0.8653 |
437 | 3QV | 0.8650 |
438 | 2QU | 0.8650 |
439 | V2Z | 0.8650 |
440 | 5F5 | 0.8649 |
441 | RVE | 0.8648 |
442 | 9CE | 0.8647 |
443 | P1J | 0.8647 |
444 | QMS | 0.8644 |
445 | TB8 | 0.8642 |
446 | 4TU | 0.8641 |
447 | 92O | 0.8640 |
448 | A5E | 0.8640 |
449 | 2FQ | 0.8640 |
450 | KLE | 0.8639 |
451 | R2P | 0.8639 |
452 | 1XS | 0.8638 |
453 | 0K7 | 0.8634 |
454 | 4NS | 0.8634 |
455 | 8U3 | 0.8633 |
456 | QBS | 0.8633 |
457 | CFA | 0.8632 |
458 | NFZ | 0.8632 |
459 | HRD | 0.8630 |
460 | WSD | 0.8630 |
461 | BA5 | 0.8629 |
462 | 15E | 0.8629 |
463 | SNY | 0.8626 |
464 | B23 | 0.8625 |
465 | ZEC | 0.8623 |
466 | BY5 | 0.8622 |
467 | 5VL | 0.8622 |
468 | AX3 | 0.8621 |
469 | VC3 | 0.8619 |
470 | OQC | 0.8619 |
471 | SRO | 0.8616 |
472 | 0J5 | 0.8614 |
473 | 1G9 | 0.8614 |
474 | KP2 | 0.8614 |
475 | SJK | 0.8613 |
476 | 4XF | 0.8612 |
477 | CKU | 0.8612 |
478 | Q5M | 0.8611 |
479 | IPT | 0.8611 |
480 | DBS | 0.8611 |
481 | JR2 | 0.8608 |
482 | 6R8 | 0.8607 |
483 | 0DF | 0.8606 |
484 | C8O | 0.8606 |
485 | 8CC | 0.8605 |
486 | NRA | 0.8605 |
487 | VT3 | 0.8603 |
488 | HPP | 0.8601 |
489 | HSX | 0.8600 |
490 | MP5 | 0.8596 |
491 | JBZ | 0.8595 |
492 | 7O4 | 0.8593 |
493 | GDL | 0.8591 |
494 | 4GU | 0.8589 |
495 | HPT | 0.8589 |
496 | 0XR | 0.8588 |
497 | NIY | 0.8587 |
498 | EV2 | 0.8584 |
499 | ONR | 0.8582 |
500 | 49P | 0.8581 |
501 | XFE | 0.8579 |
502 | CKA | 0.8578 |
503 | 20J | 0.8578 |
504 | 0LO | 0.8574 |
505 | D3G | 0.8573 |
506 | 4A5 | 0.8568 |
507 | AJ1 | 0.8567 |
508 | 2KA | 0.8566 |
509 | CCV | 0.8566 |
510 | 0FO | 0.8565 |
511 | JRO | 0.8565 |
512 | 2QV | 0.8563 |
513 | 44V | 0.8563 |
514 | LOT | 0.8559 |
515 | 9KZ | 0.8557 |
516 | TZP | 0.8555 |
517 | CPZ | 0.8554 |
518 | A6W | 0.8552 |
519 | HCI | 0.8551 |
520 | 0BP | 0.8550 |
521 | DPT | 0.8550 |
522 | CDJ | 0.8550 |
523 | P93 | 0.8547 |
524 | GT1 | 0.8546 |
525 | U13 | 0.8543 |
526 | DHY | 0.8543 |
527 | LDR | 0.8540 |
528 | JDN | 0.8540 |
529 | A1Y | 0.8538 |
530 | 78U | 0.8529 |
531 | 7VP | 0.8529 |
532 | M4N | 0.8517 |
533 | 2UZ | 0.8502 |
This union binding pocket(no: 1) in the query (biounit: 3tki.bio1) has 50 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 6JKM | ADP | 23.839 |
2 | 3PTG | 932 | 28.7926 |
3 | 2H8H | H8H | 28.7926 |
4 | 3BU5 | ATP | 29.085 |
5 | 6JQR | C6F | 29.1022 |
6 | 4UX9 | ANP | 29.4118 |
7 | 4UX9 | ANP | 29.4118 |
8 | 2B9J | ADP | 30.3406 |
9 | 2B9I | ADP | 30.3406 |
10 | 4IDT | T28 | 30.6502 |
11 | 4IDT | T28 | 30.6502 |
12 | 3GC0 | AMP | 30.9598 |
13 | 6LVK | EVC | 30.9904 |
14 | 6LVK | EVC | 30.9904 |
15 | 2WU6 | DKI | 31.5789 |
16 | 3GQI | ACP | 31.5789 |
17 | 6FYL | 3NG | 31.8885 |
18 | 5Y86 | HRM | 32.1981 |
19 | 5X8I | SQZ | 32.8173 |
20 | 6FYV | 3NG | 32.8173 |
21 | 5X8I | SQZ | 32.8173 |
22 | 4E1Z | 0MX | 32.9897 |
23 | 5ZTN | CUR | 33.4365 |
24 | 5ZTN | CUR | 33.4365 |
25 | 6YLC | OXW | 34.1693 |
26 | 6YLC | OXW | 34.1693 |
27 | 4AUA | 4AU | 34.202 |
28 | 4BCM | T7Z | 34.5515 |
29 | 4CFU | 2WC | 34.6535 |
30 | 3SRV | S19 | 34.657 |
31 | 4BCN | T9N | 34.6667 |
32 | 6GUE | FB8 | 34.7682 |
33 | 4AU8 | Z3R | 34.7973 |
34 | 4AU8 | Z3R | 34.7973 |
35 | 4AU8 | Z3R | 34.7973 |
36 | 4AU8 | Z3R | 34.7973 |
37 | 5LMK | 6ZK | 35.0168 |
38 | 3O0G | 3O0 | 35.6164 |
39 | 1UNH | IXM | 35.6164 |
40 | 4DC2 | ADE | 36.2229 |
41 | 5LI1 | ANP | 36.2229 |
42 | 1BYG | STU | 36.3309 |
43 | 1PHK | ATP | 37.9195 |
44 | 2F57 | 23D | 38.8013 |
45 | 4NM5 | ADP | 39.0093 |
46 | 3ZRM | ZRM | 39.0093 |
47 | 3ZRM | ZRM | 39.0093 |
48 | 2JLD | AG1 | 39.0093 |
49 | 4BHN | BH9 | 40.5573 |
50 | 4BHN | BH9 | 40.5573 |
51 | 3HZT | J60 | 43.0341 |
52 | 2V7O | DRN | 43.6533 |
53 | 6CMJ | F6J | 43.9252 |
54 | 5HQ0 | LZ9 | 44.702 |
55 | 2A19 | ANP | 44.7183 |
56 | 2VZ6 | FEF | 45.0479 |
57 | 2VZ6 | FEF | 45.0479 |
58 | 2VN9 | GVD | 46.5116 |
59 | 2VN9 | GVD | 46.5116 |
60 | 2ZV2 | 609 | 47.3154 |