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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 214 families. | |||||
1 | 3RY9 | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
2 | 1XNN | Ki = 0.5 nM | HYQ | C20 H18 N2 O4 | c1ccc2c(c1.... |
3 | 2AMA | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
4 | 2AX9 | Ki = 0.3 nM | BHM | C11 H10 Br F3 N2 O4 | C[C@](CBr).... |
5 | 2AMB | - | 17H | C21 H28 O2 | CC[C@@]1(C.... |
6 | 4OEA | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
7 | 3B67 | - | B67 | C17 H10 F8 N2 O5 | C[C@](COc1.... |
8 | 2PIU | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
9 | 2YLO | - | TES | C19 H28 O2 | C[C@]12CC[.... |
10 | 2PNU | - | ENM | C27 H36 F2 O3 | C[C@]12CCC.... |
11 | 4HLW | - | 17W | C15 H14 N2 O S | c1ccc(cc1).... |
12 | 2PIQ | - | RB1 | C16 H19 N5 O | CC(C)(C)n1.... |
13 | 2HVC | - | LGD | C14 H9 F9 N2 O | c1cc2c(cc1.... |
14 | 2OZ7 | - | CA4 | C24 H29 Cl O4 | CC(=O)[C@].... |
15 | 3B65 | - | 3B6 | C18 H14 I N3 O3 | C[C@](COc1.... |
16 | 5CJ6 | Ki = 2.03 nM | 51Y | C14 H17 Cl N2 O | Cc1c(ccc(c.... |
17 | 4QL8 | ic50 = 0.7 nM | JAD | C15 H16 Cl N3 O2 | Cc1c(ccc(c.... |
18 | 3B5R | - | B5R | C18 H13 Cl F4 N2 O3 | C[C@](COc1.... |
19 | 2AX8 | - | FHM | C17 H14 F4 N2 O5 | C[C@](COc1.... |
20 | 2QPY | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
21 | 1T7T | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
22 | 1Z95 | Ki = 76 nM | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
23 | 3RLJ | - | RLJ | C19 H14 F3 N3 O3 | C[C@](COc1.... |
24 | 2AX7 | - | FHM | C17 H14 F4 N2 O5 | C[C@](COc1.... |
25 | 3ZQT | - | TES | C19 H28 O2 | C[C@]12CC[.... |
26 | 1GS4 | - | ZK5 | C21 H29 F O5 | C[C@]12CCC.... |
27 | 2AM9 | - | TES | C19 H28 O2 | C[C@]12CC[.... |
28 | 3B66 | - | B66 | C18 H16 F3 N3 O5 | C[C@](COc1.... |
29 | 2PIT | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
30 | 3G0W | Ki = 0.3 nM | LGB | C15 H13 Cl F3 N3 O2 | Cc1c(ccc(c.... |
31 | 1I38 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
32 | 2PIP | - | ICO | C9 H7 N O2 | c1ccc2c(c1.... |
33 | 5VO4 | ic50 = 3.2 nM | 9FG | C12 H9 F N2 O | Cn1c(ccc1c.... |
34 | 1E3G | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
35 | 3RLL | - | RLL | C23 H16 F3 N3 O3 | C[C@](COc1.... |
36 | 2AXA | Ki = 6.1 nM | FHM | C17 H14 F4 N2 O5 | C[C@](COc1.... |
37 | 2IHQ | Ki = 3.2 nM | LG7 | C17 H13 N3 O3 | c1ccc2c(c1.... |
38 | 3B68 | - | B68 | C19 H18 F3 N3 O6 | CC(=O)Nc1c.... |
39 | 2PIV | - | T3 | C15 H12 I3 N O4 | c1cc(c(cc1.... |
40 | 2PIX | - | FLF | C14 H10 F3 N O2 | c1ccc(c(c1.... |
41 | 2PIR | - | NK | C7 H6 O2 | c1ccc(c(c1.... |
42 | 2YHD | Ki = 23 uM | AV6 | C17 H14 N2 O2 | c1cc2cccc3.... |
43 | 2AX6 | - | HFT | C11 H11 F3 N2 O4 | CC(C)(C(=O.... |
44 | 2PKL | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
45 | 2PIO | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
46 | 1XQ3 | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
47 | 5V8Q | ic50 = 3.6 nM | 97A | C14 H13 F3 N2 O2 | CC[C@H]1[C.... |
48 | 4OJB | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
49 | 2YLQ | - | TES | C19 H28 O2 | C[C@]12CC[.... |
50 | 1I37 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
51 | 2YLP | - | TES | C19 H28 O2 | C[C@]12CC[.... |
52 | 3VHV | ic50 = 510 nM | LD1 | C18 H13 N5 O2 S | c1ccc(cc1).... |
53 | 1YA3 | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
54 | 2AAX | - | PDN | C21 H26 O5 | C[C@]12CC(.... |
55 | 2AA7 | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
56 | 4PF3 | ic50 = 51 nM | HFN | C21 H18 F3 N3 O3 | Cc1c(c(n(n.... |
57 | 2AB2 | - | SNL | C24 H32 O4 S | CC(=O)S[C@.... |
58 | 2AA2 | - | AS4 | C21 H28 O5 | C[C@]12CCC.... |
59 | 5HCV | Ki = 2 nM | 60R | C23 H16 F N O3 | c1ccc2c(c1.... |
60 | 2OAX | - | SNL | C24 H32 O4 S | CC(=O)S[C@.... |
61 | 1Y9R | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
62 | 2AA6 | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
63 | 1SQN | Kd = 0.4 nM | NDR | C20 H26 O2 | C[C@]12CC[.... |
64 | 3ZRB | - | OR8 | C17 H19 Cl N4 O3 S | Cc1c(c(on1.... |
65 | 4APU | - | OR8 | C17 H19 Cl N4 O3 S | Cc1c(c(on1.... |
66 | 3HQ5 | ic50 = 16 nM | GKK | C20 H19 Cl F3 N3 | C[N@]1CC[C.... |
67 | 1ZUC | ic50 = 1.7 nM | T98 | C16 H15 N3 O S | CC1(c2cc(c.... |
68 | 3ZR7 | - | OR8 | C17 H19 Cl N4 O3 S | Cc1c(c(on1.... |
69 | 1SR7 | Kd = 0.08 nM | MOF | C27 H30 Cl2 O6 | C[C@@H]1C[.... |
70 | 3D90 | - | NOG | C21 H28 O2 | CC[C@]12CC.... |
71 | 3ZRA | - | ORB | C18 H17 Cl F N3 O3 S | Cc1c(c(on1.... |
72 | 3G8O | ic50 = 125 nM | 30X | C15 H15 F6 N3 O | C[C@@H](C(.... |
73 | 3KBA | ic50 = 16 nM | WOW | C20 H22 Cl N3 O2 S | Cc1ccccc1C.... |
74 | 4A2J | - | AS0 | C28 H35 N O4 | C[C@]12C[C.... |
75 | 2W8Y | - | NDR | C20 H26 O2 | C[C@]12CC[.... |
76 | 1A28 | Ki = 5.1 nM | STR | C21 H30 O2 | CC(=O)[C@H.... |
77 | 1NHZ | - | 486 | C29 H35 N O2 | CC#C[C@@]1.... |
78 | 4LTW | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
79 | 2Q1H | - | AS4 | C21 H28 O5 | C[C@]12CCC.... |
80 | 2Q3Y | - | PRO ALA ILE LEU TYR ALA LEU LEU SER SER | n/a | n/a |
81 | 2Q1V | - | PDN | C21 H26 O5 | C[C@]12CC(.... |
82 | 6W9K | - | TUA | C21 H28 O5 | C[C@]12C[C.... |
83 | 5UC1 | - | 486 | C29 H35 N O2 | CC#C[C@@]1.... |
84 | 5L7H | Ki = 50 nM | 6QG | C21 H22 N2 O4 S | Cc1c-2c(on.... |
85 | 5L7E | Ki = 0.25 uM | 6Q0 | C18 H18 N2 O3 S | Cc1c(c(on1.... |
86 | 5L7G | Ki = 16 nM | 6QE | C22 H22 F2 N2 O4 S | Cc1c(c(on1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 181 families. | |||||
1 | 3RY9 | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
2 | 1XNN | Ki = 0.5 nM | HYQ | C20 H18 N2 O4 | c1ccc2c(c1.... |
3 | 2AMA | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
4 | 2AX9 | Ki = 0.3 nM | BHM | C11 H10 Br F3 N2 O4 | C[C@](CBr).... |
5 | 2AMB | - | 17H | C21 H28 O2 | CC[C@@]1(C.... |
6 | 4OEA | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
7 | 3B67 | - | B67 | C17 H10 F8 N2 O5 | C[C@](COc1.... |
8 | 2PIU | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
9 | 2YLO | - | TES | C19 H28 O2 | C[C@]12CC[.... |
10 | 2PNU | - | ENM | C27 H36 F2 O3 | C[C@]12CCC.... |
11 | 4HLW | - | 17W | C15 H14 N2 O S | c1ccc(cc1).... |
12 | 2PIQ | - | RB1 | C16 H19 N5 O | CC(C)(C)n1.... |
13 | 2HVC | - | LGD | C14 H9 F9 N2 O | c1cc2c(cc1.... |
14 | 2OZ7 | - | CA4 | C24 H29 Cl O4 | CC(=O)[C@].... |
15 | 3B65 | - | 3B6 | C18 H14 I N3 O3 | C[C@](COc1.... |
16 | 5CJ6 | Ki = 2.03 nM | 51Y | C14 H17 Cl N2 O | Cc1c(ccc(c.... |
17 | 4QL8 | ic50 = 0.7 nM | JAD | C15 H16 Cl N3 O2 | Cc1c(ccc(c.... |
18 | 3B5R | - | B5R | C18 H13 Cl F4 N2 O3 | C[C@](COc1.... |
19 | 2AX8 | - | FHM | C17 H14 F4 N2 O5 | C[C@](COc1.... |
20 | 2QPY | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
21 | 1T7T | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
22 | 1Z95 | Ki = 76 nM | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
23 | 3RLJ | - | RLJ | C19 H14 F3 N3 O3 | C[C@](COc1.... |
24 | 2AX7 | - | FHM | C17 H14 F4 N2 O5 | C[C@](COc1.... |
25 | 3ZQT | - | TES | C19 H28 O2 | C[C@]12CC[.... |
26 | 1GS4 | - | ZK5 | C21 H29 F O5 | C[C@]12CCC.... |
27 | 2AM9 | - | TES | C19 H28 O2 | C[C@]12CC[.... |
28 | 3B66 | - | B66 | C18 H16 F3 N3 O5 | C[C@](COc1.... |
29 | 2PIT | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
30 | 3G0W | Ki = 0.3 nM | LGB | C15 H13 Cl F3 N3 O2 | Cc1c(ccc(c.... |
31 | 1I38 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
32 | 2PIP | - | ICO | C9 H7 N O2 | c1ccc2c(c1.... |
33 | 5VO4 | ic50 = 3.2 nM | 9FG | C12 H9 F N2 O | Cn1c(ccc1c.... |
34 | 1E3G | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
35 | 3RLL | - | RLL | C23 H16 F3 N3 O3 | C[C@](COc1.... |
36 | 2AXA | Ki = 6.1 nM | FHM | C17 H14 F4 N2 O5 | C[C@](COc1.... |
37 | 2IHQ | Ki = 3.2 nM | LG7 | C17 H13 N3 O3 | c1ccc2c(c1.... |
38 | 3B68 | - | B68 | C19 H18 F3 N3 O6 | CC(=O)Nc1c.... |
39 | 2PIV | - | T3 | C15 H12 I3 N O4 | c1cc(c(cc1.... |
40 | 2PIX | - | FLF | C14 H10 F3 N O2 | c1ccc(c(c1.... |
41 | 2PIR | - | NK | C7 H6 O2 | c1ccc(c(c1.... |
42 | 2YHD | Ki = 23 uM | AV6 | C17 H14 N2 O2 | c1cc2cccc3.... |
43 | 2AX6 | - | HFT | C11 H11 F3 N2 O4 | CC(C)(C(=O.... |
44 | 2PKL | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
45 | 2PIO | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
46 | 1XQ3 | - | R18 | C19 H24 O2 | C[C@@]1(CC.... |
47 | 5V8Q | ic50 = 3.6 nM | 97A | C14 H13 F3 N2 O2 | CC[C@H]1[C.... |
48 | 4OJB | - | 198 | C18 H14 F4 N2 O4 S | C[C@](CS(=.... |
49 | 2YLQ | - | TES | C19 H28 O2 | C[C@]12CC[.... |
50 | 1I37 | - | DHT | C19 H30 O2 | C[C@]12CCC.... |
51 | 2YLP | - | TES | C19 H28 O2 | C[C@]12CC[.... |
52 | 3VHU | ic50 = 49 nM | SNL | C24 H32 O4 S | CC(=O)S[C@.... |
53 | 2AA5 | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
54 | 3VHV | ic50 = 510 nM | LD1 | C18 H13 N5 O2 S | c1ccc(cc1).... |
55 | 1YA3 | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
56 | 2AAX | - | PDN | C21 H26 O5 | C[C@]12CC(.... |
57 | 2AA7 | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
58 | 4PF3 | ic50 = 51 nM | HFN | C21 H18 F3 N3 O3 | Cc1c(c(n(n.... |
59 | 2AB2 | - | SNL | C24 H32 O4 S | CC(=O)S[C@.... |
60 | 2AA2 | - | AS4 | C21 H28 O5 | C[C@]12CCC.... |
61 | 5HCV | Ki = 2 nM | 60R | C23 H16 F N O3 | c1ccc2c(c1.... |
62 | 2OAX | - | SNL | C24 H32 O4 S | CC(=O)S[C@.... |
63 | 1Y9R | - | 1CA | C21 H30 O3 | C[C@]12CC[.... |
64 | 2AA6 | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
65 | 1SQN | Kd = 0.4 nM | NDR | C20 H26 O2 | C[C@]12CC[.... |
66 | 3ZRB | - | OR8 | C17 H19 Cl N4 O3 S | Cc1c(c(on1.... |
67 | 4APU | - | OR8 | C17 H19 Cl N4 O3 S | Cc1c(c(on1.... |
68 | 3HQ5 | ic50 = 16 nM | GKK | C20 H19 Cl F3 N3 | C[N@]1CC[C.... |
69 | 1ZUC | ic50 = 1.7 nM | T98 | C16 H15 N3 O S | CC1(c2cc(c.... |
70 | 3ZR7 | - | OR8 | C17 H19 Cl N4 O3 S | Cc1c(c(on1.... |
71 | 1SR7 | Kd = 0.08 nM | MOF | C27 H30 Cl2 O6 | C[C@@H]1C[.... |
72 | 3D90 | - | NOG | C21 H28 O2 | CC[C@]12CC.... |
73 | 3ZRA | - | ORB | C18 H17 Cl F N3 O3 S | Cc1c(c(on1.... |
74 | 3G8O | ic50 = 125 nM | 30X | C15 H15 F6 N3 O | C[C@@H](C(.... |
75 | 3KBA | ic50 = 16 nM | WOW | C20 H22 Cl N3 O2 S | Cc1ccccc1C.... |
76 | 4A2J | - | AS0 | C28 H35 N O4 | C[C@]12C[C.... |
77 | 2W8Y | - | NDR | C20 H26 O2 | C[C@]12CC[.... |
78 | 1A28 | Ki = 5.1 nM | STR | C21 H30 O2 | CC(=O)[C@H.... |
79 | 1NHZ | - | 486 | C29 H35 N O2 | CC#C[C@@]1.... |
80 | 4LTW | - | STR | C21 H30 O2 | CC(=O)[C@H.... |
81 | 2Q1H | - | AS4 | C21 H28 O5 | C[C@]12CCC.... |
82 | 2Q3Y | - | PRO ALA ILE LEU TYR ALA LEU LEU SER SER | n/a | n/a |
83 | 2Q1V | - | PDN | C21 H26 O5 | C[C@]12CC(.... |
84 | 6W9K | - | TUA | C21 H28 O5 | C[C@]12C[C.... |
85 | 5UC1 | - | 486 | C29 H35 N O2 | CC#C[C@@]1.... |
86 | 5L7H | Ki = 50 nM | 6QG | C21 H22 N2 O4 S | Cc1c-2c(on.... |
87 | 5L7E | Ki = 0.25 uM | 6Q0 | C18 H18 N2 O3 S | Cc1c(c(on1.... |
88 | 5L7G | Ki = 16 nM | 6QE | C22 H22 F2 N2 O4 S | Cc1c(c(on1.... |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | DHT | 1.0000 |
2 | 5SD | 0.9966 |
3 | AOM | 0.9948 |
4 | ANB | 0.9945 |
5 | AND | 0.9942 |
6 | AOX | 0.9900 |
7 | AOI | 0.9887 |
8 | NQ8 | 0.9794 |
9 | ANO | 0.9744 |
10 | AON | 0.9739 |
11 | ESR | 0.9671 |
12 | BDT | 0.9639 |
13 | PLO | 0.9572 |
14 | EST | 0.9542 |
15 | J3Z | 0.9506 |
16 | R18 | 0.9499 |
17 | EQU | 0.9480 |
18 | 17M | 0.9356 |
19 | NDR | 0.9258 |
20 | CI2 | 0.9246 |
21 | CUE | 0.9225 |
22 | ESZ | 0.9190 |
23 | ECS | 0.9170 |
24 | ESL | 0.9145 |
25 | C0R | 0.9122 |
26 | NOG | 0.9110 |
27 | CX6 | 0.9076 |
28 | GEN | 0.9069 |
29 | AS4 | 0.9042 |
30 | PDN | 0.9030 |
31 | 17H | 0.9022 |
32 | 397 | 0.9010 |
33 | HCY | 0.8999 |
34 | E6Q | 0.8976 |
35 | 272 | 0.8964 |
36 | 1DR | 0.8959 |
37 | XYP XYP | 0.8938 |
38 | 4CN | 0.8923 |
39 | EES | 0.8918 |
40 | TUA | 0.8917 |
41 | DX2 | 0.8913 |
42 | IXM | 0.8900 |
43 | ZK5 | 0.8894 |
44 | DX7 | 0.8892 |
45 | 8SK | 0.8884 |
46 | 9CE | 0.8874 |
47 | ESM | 0.8872 |
48 | 18E | 0.8860 |
49 | SDN | 0.8860 |
50 | X2M | 0.8840 |
51 | DFL | 0.8840 |
52 | BRY | 0.8838 |
53 | M3F | 0.8838 |
54 | 1V4 | 0.8830 |
55 | 4FC | 0.8825 |
56 | HH6 | 0.8823 |
57 | 1FL | 0.8823 |
58 | 3WF | 0.8822 |
59 | K7H | 0.8821 |
60 | ADL | 0.8820 |
61 | PRL | 0.8814 |
62 | 0UL | 0.8810 |
63 | 6DQ | 0.8802 |
64 | YZ9 | 0.8792 |
65 | EED | 0.8791 |
66 | L2K | 0.8790 |
67 | 0FR | 0.8790 |
68 | AP6 | 0.8789 |
69 | 7EH | 0.8782 |
70 | 1V1 | 0.8779 |
71 | PIQ | 0.8779 |
72 | 0NJ | 0.8776 |
73 | A73 | 0.8774 |
74 | 20D | 0.8771 |
75 | 3F4 | 0.8770 |
76 | 79X | 0.8770 |
77 | TUV | 0.8765 |
78 | 7G0 | 0.8758 |
79 | NKI | 0.8757 |
80 | XYS XYS | 0.8756 |
81 | 0DF | 0.8755 |
82 | RHN | 0.8755 |
83 | QNM | 0.8754 |
84 | DEX | 0.8752 |
85 | NRA | 0.8752 |
86 | 1HP | 0.8747 |
87 | MBT | 0.8744 |
88 | NDD | 0.8741 |
89 | 39Z | 0.8740 |
90 | WLH | 0.8735 |
91 | 25F | 0.8733 |
92 | G2V | 0.8726 |
93 | HNT | 0.8725 |
94 | 4ZF | 0.8723 |
95 | RSV | 0.8721 |
96 | 789 | 0.8718 |
97 | XYS XYP | 0.8717 |
98 | SZ5 | 0.8717 |
99 | LFN | 0.8716 |
100 | WS6 | 0.8713 |
101 | 2WU | 0.8713 |
102 | 5OR | 0.8713 |
103 | 47X | 0.8710 |
104 | 6ZE | 0.8705 |
105 | WG8 | 0.8704 |
106 | 6BK | 0.8700 |
107 | 7G2 | 0.8700 |
108 | S98 | 0.8695 |
109 | 5VU | 0.8692 |
110 | ZSP | 0.8691 |
111 | 120 | 0.8690 |
112 | AQN | 0.8684 |
113 | 6QT | 0.8684 |
114 | 6H2 | 0.8681 |
115 | FT2 | 0.8681 |
116 | VUP | 0.8679 |
117 | 3WL | 0.8678 |
118 | 5XL | 0.8677 |
119 | 1YL | 0.8675 |
120 | LUM | 0.8672 |
121 | 1V8 | 0.8670 |
122 | 2GQ | 0.8667 |
123 | DY9 | 0.8666 |
124 | M3W | 0.8665 |
125 | F40 | 0.8664 |
126 | FYR | 0.8664 |
127 | CR4 | 0.8661 |
128 | 1TJ | 0.8660 |
129 | D9Z | 0.8659 |
130 | 30Q | 0.8659 |
131 | LI7 | 0.8658 |
132 | 801 | 0.8658 |
133 | OA4 | 0.8642 |
134 | DX8 | 0.8641 |
135 | WV7 | 0.8640 |
136 | OLU | 0.8639 |
137 | H4B | 0.8637 |
138 | Z21 | 0.8636 |
139 | BMZ | 0.8630 |
140 | UAY | 0.8629 |
141 | 5ER | 0.8628 |
142 | 9KZ | 0.8627 |
143 | IQZ | 0.8626 |
144 | Q0K | 0.8626 |
145 | 7FZ | 0.8622 |
146 | 124 | 0.8622 |
147 | WS7 | 0.8622 |
148 | CHQ | 0.8619 |
149 | JF8 | 0.8619 |
150 | 5S9 | 0.8619 |
151 | 2V4 | 0.8618 |
152 | ADN | 0.8617 |
153 | 1EL | 0.8616 |
154 | 1CE | 0.8615 |
155 | BIO | 0.8613 |
156 | 1N7 | 0.8609 |
157 | AZN | 0.8603 |
158 | 122 | 0.8600 |
159 | QUE | 0.8596 |
160 | NYJ | 0.8594 |
161 | V13 | 0.8593 |
162 | JRO | 0.8590 |
163 | II4 | 0.8590 |
164 | 9JT | 0.8590 |
165 | VT3 | 0.8589 |
166 | 5AD | 0.8589 |
167 | IDZ | 0.8587 |
168 | QS4 | 0.8575 |
169 | 16G | 0.8574 |
170 | 0LA | 0.8573 |
171 | BIH | 0.8570 |
172 | E9L | 0.8568 |
173 | 1XS | 0.8564 |
174 | 6JM | 0.8562 |
175 | 08C | 0.8561 |
176 | TFX | 0.8559 |
177 | H2W | 0.8554 |
178 | YE6 | 0.8550 |
179 | GAL FUC | 0.8546 |
180 | RDT | 0.8540 |
181 | ZTW | 0.8538 |
182 | MR4 | 0.8538 |
183 | AD3 | 0.8536 |
184 | 135 | 0.8530 |
185 | SAU | 0.8518 |
186 | 2QV | 0.8518 |
187 | NPX | 0.8516 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | F6W | 0.9096 |
2 | M62 | 0.9092 |
3 | UDY | 0.9003 |
4 | D44 | 0.8986 |
5 | 9RK | 0.8983 |
6 | F41 | 0.8982 |
7 | HCC | 0.8976 |
8 | ZX7 | 0.8935 |
9 | F5N | 0.8932 |
10 | BTS | 0.8926 |
11 | EUK | 0.8924 |
12 | JV5 | 0.8919 |
13 | ZX8 | 0.8913 |
14 | JZJ | 0.8904 |
15 | JV8 | 0.8890 |
16 | WDU | 0.8873 |
17 | YH1 | 0.8857 |
18 | AGX | 0.8842 |
19 | YH6 | 0.8839 |
20 | K5G | 0.8830 |
21 | YH5 | 0.8818 |
22 | E90 | 0.8818 |
23 | INV | 0.8816 |
24 | 2YF | 0.8799 |
25 | BAI | 0.8790 |
26 | 9X0 | 0.8785 |
27 | 6NF | 0.8775 |
28 | DN8 | 0.8772 |
29 | YH4 | 0.8770 |
30 | 20P | 0.8765 |
31 | 4KN | 0.8759 |
32 | M0M | 0.8755 |
33 | FZ8 | 0.8752 |
34 | PT1 | 0.8738 |
35 | JQN | 0.8727 |
36 | KSY | 0.8727 |
37 | 5T4 | 0.8726 |
38 | 87F | 0.8719 |
39 | BSB | 0.8710 |
40 | S38 | 0.8707 |
41 | BZH | 0.8706 |
42 | 9P1 | 0.8702 |
43 | PWH | 0.8693 |
44 | BUN | 0.8686 |
45 | YH3 | 0.8681 |
46 | 13F | 0.8671 |
47 | 4ZW | 0.8670 |
48 | 873 | 0.8669 |
49 | E1F | 0.8669 |
50 | BRN | 0.8666 |
51 | 9PC | 0.8651 |
52 | 4P9 | 0.8632 |
53 | 4D7 | 0.8621 |
54 | PYL | 0.8611 |
55 | K5D | 0.8609 |
56 | 78H | 0.8592 |
57 | BXB | 0.8583 |
58 | WRB | 0.8573 |
59 | C9G | 0.8560 |
60 | 1L7 | 0.8558 |
61 | D6X | 0.8552 |
62 | 88S | 0.8547 |