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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 5 families. | |||||
1 | 1TJP | - | HPF | C9 H14 N O7 P | c1ccc(c(c1.... |
2 | 1QOQ | - | IGP | C11 H14 N O6 P | c1ccc2c(c1.... |
3 | 4Y6G | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
4 | 1K8Y | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
5 | 2CLM | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
6 | 2TYS | - | PLT | C19 H20 N3 O7 P | Cc1c(c(c(c.... |
7 | 1KFC | - | IPL | C11 H14 N O4 P | c1ccc2c(c1.... |
8 | 1C8V | ic50 = 472 nM | HE1 | C10 H13 O4 P S | c1ccc(c(c1.... |
9 | 4KKX | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
10 | 2CLL | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
11 | 3CEP | - | G3P IDM | n/a | n/a |
12 | 2TRS | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
13 | 1KFJ | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
14 | 4HPX | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
15 | 1A5S | Kd = 0.35 uM | FIP | C11 H13 F N O4 P | c1cc2c(cc1.... |
16 | 2CLI | Kd = 50 uM | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
17 | 5BW6 | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
18 | 3PR2 | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
19 | 1K8Z | - | IAG | C12 H12 N2 O3 | c1ccc2c(c1.... |
20 | 1CW2 | ic50 = 715 nM | HSP | C10 H15 O5 P S | c1ccc(c(c1.... |
21 | 1KFE | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
22 | 2J9X | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
23 | 1BEU | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
24 | 4HT3 | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
25 | 2CLK | Kd = 164 uM | G3H | C3 H7 O6 P | C([C@H](C=.... |
26 | 1A50 | Kd = 0.35 uM | FIP | C11 H13 F N O4 P | c1cc2c(cc1.... |
27 | 2CLH | Kd = 87.6 uM | F19 | C12 H14 N O6 P S | c1ccc2cc(c.... |
28 | 1C29 | ic50 = 472 nM | HE1 | C10 H13 O4 P S | c1ccc(c(c1.... |
29 | 1QOP | - | IPL | C11 H14 N O4 P | c1ccc2c(c1.... |
30 | 1K7E | - | IAG | C12 H12 N2 O3 | c1ccc2c(c1.... |
31 | 1FUY | - | FIP | C11 H13 F N O4 P | c1cc2c(cc1.... |
32 | 1A5B | - | IGP | C11 H14 N O6 P | c1ccc2c(c1.... |
33 | 2J9Y | - | FOO | C11 H13 N2 O7 P | Cc1c(c(c(c.... |
34 | 4ZQC | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
35 | 1KFB | - | IGP | C11 H14 N O6 P | c1ccc2c(c1.... |
36 | 2CLE | Kd = 280 uM | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
37 | 1CX9 | ic50 = 178 nM | NHP | C10 H16 N O3 P S | c1ccc(c(c1.... |
38 | 2CLO | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
39 | 1WBJ | Kd = 0.31 mM | G3P | C3 H9 O6 P | C([C@H](CO.... |
40 | 1K3U | - | IAD | C14 H14 N2 O5 | c1ccc2c(c1.... |
41 | 2CLF | Kd = 280 uM | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
42 | 4HN4 | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
43 | 1UBS | - | SER PLP | n/a | n/a |
44 | 1K7F | - | IAV | C15 H18 N2 O3 | CC(C)[C@@H.... |
45 | 2TSY | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
46 | 4HPJ | - | 1D0 | C17 H20 N3 O8 P | Cc1c(c(c(c.... |
47 | 1C9D | ic50 = 499 nM | HF1 | C10 H12 F O4 P S | c1cc(c(cc1.... |
48 | 4WX2 | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
49 | 6AM8 | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
50 | 6CUZ | - | FEV | C13 H17 N2 O7 P | CC/C=C(C(=.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1TJP | - | HPF | C9 H14 N O7 P | c1ccc(c(c1.... |
2 | 1QOQ | - | IGP | C11 H14 N O6 P | c1ccc2c(c1.... |
3 | 4Y6G | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
4 | 1K8Y | - | 13P | C3 H7 O6 P | C(C(=O)COP.... |
5 | 2CLM | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
6 | 2TYS | - | PLT | C19 H20 N3 O7 P | Cc1c(c(c(c.... |
7 | 1KFC | - | IPL | C11 H14 N O4 P | c1ccc2c(c1.... |
8 | 1C8V | ic50 = 472 nM | HE1 | C10 H13 O4 P S | c1ccc(c(c1.... |
9 | 4KKX | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
10 | 2CLL | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
11 | 3CEP | - | G3P IDM | n/a | n/a |
12 | 2TRS | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
13 | 1KFJ | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
14 | 4HPX | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
15 | 1A5S | Kd = 0.35 uM | FIP | C11 H13 F N O4 P | c1cc2c(cc1.... |
16 | 2CLI | Kd = 50 uM | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
17 | 5BW6 | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
18 | 3PR2 | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
19 | 1K8Z | - | IAG | C12 H12 N2 O3 | c1ccc2c(c1.... |
20 | 1CW2 | ic50 = 715 nM | HSP | C10 H15 O5 P S | c1ccc(c(c1.... |
21 | 1KFE | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
22 | 2J9X | - | G3P | C3 H9 O6 P | C([C@H](CO.... |
23 | 1BEU | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
24 | 4HT3 | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
25 | 2CLK | Kd = 164 uM | G3H | C3 H7 O6 P | C([C@H](C=.... |
26 | 1A50 | Kd = 0.35 uM | FIP | C11 H13 F N O4 P | c1cc2c(cc1.... |
27 | 2CLH | Kd = 87.6 uM | F19 | C12 H14 N O6 P S | c1ccc2cc(c.... |
28 | 1C29 | ic50 = 472 nM | HE1 | C10 H13 O4 P S | c1ccc(c(c1.... |
29 | 1QOP | - | IPL | C11 H14 N O4 P | c1ccc2c(c1.... |
30 | 1K7E | - | IAG | C12 H12 N2 O3 | c1ccc2c(c1.... |
31 | 1FUY | - | FIP | C11 H13 F N O4 P | c1cc2c(cc1.... |
32 | 1A5B | - | IGP | C11 H14 N O6 P | c1ccc2c(c1.... |
33 | 2J9Y | - | FOO | C11 H13 N2 O7 P | Cc1c(c(c(c.... |
34 | 4ZQC | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
35 | 1KFB | - | IGP | C11 H14 N O6 P | c1ccc2c(c1.... |
36 | 2CLE | Kd = 280 uM | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
37 | 1CX9 | ic50 = 178 nM | NHP | C10 H16 N O3 P S | c1ccc(c(c1.... |
38 | 2CLO | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
39 | 1WBJ | Kd = 0.31 mM | G3P | C3 H9 O6 P | C([C@H](CO.... |
40 | 1K3U | - | IAD | C14 H14 N2 O5 | c1ccc2c(c1.... |
41 | 2CLF | Kd = 280 uM | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
42 | 4HN4 | - | F9F | C9 H11 F3 N O7 P S | c1cc(ccc1O.... |
43 | 1UBS | - | SER PLP | n/a | n/a |
44 | 1K7F | - | IAV | C15 H18 N2 O3 | CC(C)[C@@H.... |
45 | 2TSY | - | PLS | C11 H17 N2 O8 P | Cc1c(c(c(c.... |
46 | 4HPJ | - | 1D0 | C17 H20 N3 O8 P | Cc1c(c(c(c.... |
47 | 1C9D | ic50 = 499 nM | HF1 | C10 H12 F O4 P S | c1cc(c(cc1.... |
48 | 4WX2 | - | F6F | C10 H11 F3 N O6 P | c1cc(ccc1C.... |
49 | 6AM8 | - | TRP | C11 H12 N2 O2 | c1ccc2c(c1.... |
50 | 6CUZ | - | FEV | C13 H17 N2 O7 P | CC/C=C(C(=.... |
51 | 5TCJ | - | P1T | C11 H15 N2 O7 P | Cc1c(c(c(c.... |
52 | 5TCI | Kd = 132 nM | 79V | C17 H15 F N2 O | c1ccc(c(c1.... |
53 | 5TCH | - | MLI | C3 H2 O4 | C(C(=O)[O-.... |
54 | 6USA | - | PZJ | C14 H19 Cl N2 O3 S | c1ccc(c(c1.... |
55 | 6U6C | - | P1T | C11 H15 N2 O7 P | Cc1c(c(c(c.... |
56 | 5TCG | - | P1T | C11 H15 N2 O7 P | Cc1c(c(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | G3P | 1 | 1 |
2 | 1GP | 1 | 1 |
3 | GP9 | 0.551724 | 0.90625 |
4 | GPE | 0.514286 | 0.731707 |
5 | GOS | 0.5 | 0.882353 |
6 | M2P | 0.5 | 0.882353 |
7 | DX5 | 0.484848 | 0.911765 |
8 | LX1 | 0.484848 | 0.828571 |
9 | A5P | 0.484848 | 0.911765 |
10 | LXP | 0.484848 | 0.911765 |
11 | PSE | 0.483871 | 0.736842 |
12 | HG3 | 0.482759 | 0.90625 |
13 | S6P | 0.470588 | 0.939394 |
14 | DXP | 0.457143 | 0.828571 |
15 | G3H | 0.4375 | 0.848485 |
16 | 3PG | 0.4375 | 0.852941 |
17 | D5X | 0.432432 | 0.805556 |
18 | CH5 | 0.425 | 0.6 |
19 | EFS | 0.423077 | 0.69697 |
20 | AGP | 0.421053 | 0.756098 |
21 | M6R | 0.421053 | 0.756098 |
22 | GSE | 0.414634 | 0.714286 |
23 | E4P | 0.411765 | 0.878788 |
24 | R52 | 0.405405 | 0.828571 |
25 | DG6 | 0.405405 | 0.885714 |
26 | TX4 | 0.405405 | 0.630435 |
27 | R5P | 0.405405 | 0.828571 |
28 | FQ8 | 0.4 | 0.885714 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | PLS | 1 | 1 |
2 | PPD | 0.8 | 0.966667 |
3 | C6P | 0.8 | 0.966667 |
4 | PY5 | 0.787879 | 0.90625 |
5 | PGU | 0.764706 | 0.935484 |
6 | 7XF | 0.764706 | 0.935484 |
7 | PDG | 0.764706 | 0.935484 |
8 | LPI | 0.753623 | 0.865672 |
9 | QLP | 0.753623 | 0.878788 |
10 | PY6 | 0.742857 | 0.878788 |
11 | ORX | 0.732394 | 0.920635 |
12 | N5F | 0.732394 | 0.920635 |
13 | PDA | 0.727273 | 0.918033 |
14 | PP3 | 0.727273 | 0.918033 |
15 | PDD | 0.727273 | 0.918033 |
16 | PL4 | 0.726027 | 0.920635 |
17 | PE1 | 0.722222 | 0.920635 |
18 | 2BK | 0.705882 | 0.95 |
19 | TLP | 0.705882 | 0.95 |
20 | 2BO | 0.705882 | 0.95 |
21 | 0PR | 0.702703 | 0.95082 |
22 | ILP | 0.690141 | 0.888889 |
23 | IN5 | 0.656716 | 0.885246 |
24 | AQ3 | 0.65 | 0.90625 |
25 | PLG | 0.632353 | 0.934426 |
26 | 76U | 0.626667 | 0.890625 |
27 | 5PA | 0.611111 | 0.920635 |
28 | P1T | 0.605634 | 0.920635 |
29 | CBA | 0.6 | 0.904762 |
30 | IK2 | 0.597222 | 0.890625 |
31 | KAM | 0.580247 | 0.861538 |
32 | EA5 | 0.576923 | 0.892308 |
33 | 33P | 0.575342 | 0.84127 |
34 | PLA | 0.573333 | 0.90625 |
35 | PMG | 0.571429 | 0.878788 |
36 | PXP | 0.5625 | 0.830508 |
37 | PMH | 0.546667 | 0.72973 |
38 | GT1 | 0.545455 | 0.746032 |
39 | HEY | 0.544304 | 0.876923 |
40 | PSZ | 0.5375 | 0.808824 |
41 | 3LM | 0.5375 | 0.823529 |
42 | PMP | 0.530303 | 0.866667 |
43 | RW2 | 0.518072 | 0.863636 |
44 | PXG | 0.518072 | 0.873016 |
45 | DCS | 0.5125 | 0.794521 |
46 | PL2 | 0.5125 | 0.794118 |
47 | DN9 | 0.5 | 0.855072 |
48 | 7TS | 0.5 | 0.736842 |
49 | KOU | 0.493506 | 0.868852 |
50 | CKT | 0.493506 | 0.887097 |
51 | PL8 | 0.476744 | 0.791667 |
52 | 9YM | 0.47619 | 0.875 |
53 | 7B9 | 0.465909 | 0.826087 |
54 | F0G | 0.461538 | 0.774194 |
55 | PLP 2KZ | 0.444444 | 0.84127 |
56 | OJQ | 0.439024 | 0.710526 |
57 | PL6 | 0.433735 | 0.793651 |
58 | PLR | 0.432836 | 0.704918 |
59 | EVM | 0.432099 | 0.854839 |
60 | 0JO | 0.43038 | 0.753846 |
61 | PPE | 0.428571 | 0.920635 |
62 | FEJ | 0.428571 | 0.793651 |
63 | PPG | 0.426966 | 0.861538 |
64 | P0P | 0.422535 | 0.779661 |
65 | RMT | 0.422222 | 0.80303 |
66 | PUS | 0.420455 | 0.746479 |
67 | CAN PLP | 0.420455 | 0.835821 |
68 | 1D0 | 0.419355 | 0.863636 |
69 | PLP | 0.414286 | 0.779661 |
70 | 4LM | 0.4125 | 0.738462 |
71 | Z98 | 0.411765 | 0.84375 |
72 | AN7 | 0.410256 | 0.754098 |
73 | EPC | 0.410256 | 0.741935 |
74 | PZP | 0.408451 | 0.754098 |
75 | LCS | 0.406977 | 0.733333 |
76 | 5DK | 0.406593 | 0.818182 |
77 | EQJ | 0.406593 | 0.818182 |
78 | 0LD | 0.405941 | 0.627907 |
79 | FOO | 0.405063 | 0.790323 |
80 | PL5 | 0.404494 | 0.8125 |
81 | P70 | 0.404494 | 0.777778 |
82 | FEV | 0.402439 | 0.727273 |
83 | 6DF | 0.4 | 0.703125 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 13P | 1.0000 |
2 | PGH | 1.0000 |
3 | PGA | 1.0000 |
4 | LTL | 0.9939 |
5 | SEP | 0.9870 |
6 | 129 | 0.9848 |
7 | X1S | 0.9830 |
8 | CYX | 0.9812 |
9 | 3PP | 0.9716 |
10 | HPV | 0.9649 |
11 | PEP | 0.9589 |
12 | 4LR | 0.9585 |
13 | SIN | 0.9548 |
14 | 1SH | 0.9543 |
15 | CCE | 0.9535 |
16 | GLN | 0.9535 |
17 | 1SA | 0.9521 |
18 | FUM | 0.9516 |
19 | OKG | 0.9513 |
20 | A20 | 0.9509 |
21 | ACH | 0.9498 |
22 | CCD | 0.9489 |
23 | OPE | 0.9488 |
24 | 3SL | 0.9485 |
25 | GPJ | 0.9481 |
26 | FOM | 0.9480 |
27 | PMB | 0.9466 |
28 | HX2 | 0.9461 |
29 | GLU | 0.9454 |
30 | SPV | 0.9452 |
31 | 8K2 | 0.9445 |
32 | H95 | 0.9435 |
33 | PAH | 0.9433 |
34 | OSE | 0.9426 |
35 | FB2 | 0.9426 |
36 | 1X4 | 0.9424 |
37 | 9GB | 0.9420 |
38 | KVV | 0.9415 |
39 | GPF | 0.9412 |
40 | HSO | 0.9410 |
41 | IP8 | 0.9409 |
42 | AT3 | 0.9408 |
43 | GZ3 | 0.9406 |
44 | LLQ | 0.9405 |
45 | CHH | 0.9400 |
46 | 7OD | 0.9399 |
47 | PPR | 0.9398 |
48 | MEQ | 0.9389 |
49 | PC | 0.9377 |
50 | 3S5 | 0.9373 |
51 | 4MV | 0.9361 |
52 | PIS | 0.9348 |
53 | MAE | 0.9346 |
54 | GLY GLY | 0.9339 |
55 | NM3 | 0.9333 |
56 | SHF | 0.9316 |
57 | Q07 | 0.9299 |
58 | AKG | 0.9293 |
59 | GVM | 0.9293 |
60 | PLU | 0.9290 |
61 | RTK | 0.9287 |
62 | PMF | 0.9285 |
63 | NF3 | 0.9273 |
64 | DE5 | 0.9271 |
65 | XCZ | 0.9270 |
66 | 0V5 | 0.9268 |
67 | 1DV | 0.9268 |
68 | 2HG | 0.9267 |
69 | 9ON | 0.9266 |
70 | PEQ | 0.9264 |
71 | FBW | 0.9259 |
72 | FB1 | 0.9251 |
73 | OGA | 0.9248 |
74 | SS2 | 0.9248 |
75 | 7VD | 0.9246 |
76 | 6PC | 0.9246 |
77 | HBU | 0.9243 |
78 | 2PG | 0.9241 |
79 | FBV | 0.9241 |
80 | LMR | 0.9239 |
81 | 3OC | 0.9239 |
82 | QMP | 0.9238 |
83 | LEU | 0.9236 |
84 | EHM | 0.9233 |
85 | 7BC | 0.9230 |
86 | HMS | 0.9228 |
87 | ISZ | 0.9225 |
88 | DS0 | 0.9221 |
89 | EOU | 0.9220 |
90 | 3YP | 0.9220 |
91 | S2G | 0.9220 |
92 | AL0 | 0.9219 |
93 | 2IT | 0.9218 |
94 | TSU | 0.9218 |
95 | FSG | 0.9218 |
96 | DHM | 0.9217 |
97 | GGL | 0.9214 |
98 | R67 | 0.9209 |
99 | DGL | 0.9208 |
100 | MJ2 | 0.9206 |
101 | RB0 | 0.9206 |
102 | RB5 | 0.9206 |
103 | XYL | 0.9206 |
104 | SRT | 0.9205 |
105 | MDN | 0.9204 |
106 | 6NA | 0.9201 |
107 | DLY | 0.9197 |
108 | ZGL | 0.9195 |
109 | 3OL | 0.9194 |
110 | FCR | 0.9193 |
111 | DIR | 0.9191 |
112 | G2H | 0.9191 |
113 | 449 | 0.9190 |
114 | PPV | 0.9190 |
115 | BAM | 0.9189 |
116 | TLA | 0.9187 |
117 | HPS | 0.9185 |
118 | 1DQ | 0.9182 |
119 | SYC | 0.9180 |
120 | B85 | 0.9180 |
121 | MSL | 0.9179 |
122 | CP | 0.9178 |
123 | 51R | 0.9177 |
124 | BEZ | 0.9176 |
125 | 9J3 | 0.9174 |
126 | DQY | 0.9171 |
127 | BHH | 0.9167 |
128 | 2RH | 0.9165 |
129 | PAE | 0.9165 |
130 | HL5 | 0.9161 |
131 | 6JN | 0.9159 |
132 | 5XA | 0.9159 |
133 | Q9Z | 0.9159 |
134 | GUA | 0.9158 |
135 | SD4 | 0.9157 |
136 | 98J | 0.9157 |
137 | XM0 | 0.9156 |
138 | NCA | 0.9156 |
139 | RBL | 0.9154 |
140 | CRN | 0.9153 |
141 | SHO | 0.9153 |
142 | XLS | 0.9151 |
143 | ROR | 0.9150 |
144 | P22 | 0.9150 |
145 | K6H | 0.9150 |
146 | BEN | 0.9150 |
147 | CCU | 0.9147 |
148 | DGN | 0.9142 |
149 | NIO | 0.9142 |
150 | URQ | 0.9141 |
151 | 7N0 | 0.9141 |
152 | QDK | 0.9140 |
153 | AMS | 0.9137 |
154 | MUC | 0.9136 |
155 | OAA | 0.9135 |
156 | BNS | 0.9135 |
157 | MPD | 0.9133 |
158 | ASP | 0.9132 |
159 | ACA | 0.9131 |
160 | HIS | 0.9130 |
161 | 4J8 | 0.9129 |
162 | ONL | 0.9124 |
163 | COM | 0.9124 |
164 | MHN | 0.9123 |
165 | 152 | 0.9123 |
166 | OEG | 0.9122 |
167 | FBJ | 0.9122 |
168 | NMG | 0.9121 |
169 | 2PN | 0.9119 |
170 | VKC | 0.9119 |
171 | SME | 0.9118 |
172 | KMH | 0.9117 |
173 | IXW | 0.9116 |
174 | LUQ | 0.9116 |
175 | SJ5 | 0.9109 |
176 | ICF | 0.9109 |
177 | FBS | 0.9106 |
178 | A09 | 0.9106 |
179 | LYS | 0.9104 |
180 | PZI | 0.9102 |
181 | 3BU | 0.9101 |
182 | NSB | 0.9098 |
183 | 9X6 | 0.9098 |
184 | FOC | 0.9098 |
185 | N6C | 0.9097 |
186 | DAL DAL | 0.9097 |
187 | LYN | 0.9097 |
188 | ASN | 0.9095 |
189 | RJY | 0.9093 |
190 | HGA | 0.9091 |
191 | 3OM | 0.9091 |
192 | POP | 0.9091 |
193 | BZX | 0.9091 |
194 | GOJ | 0.9090 |
195 | HTX | 0.9089 |
196 | DHI | 0.9086 |
197 | URP | 0.9084 |
198 | SAN | 0.9084 |
199 | AAS | 0.9083 |
200 | MLT | 0.9080 |
201 | CFI | 0.9077 |
202 | FBM | 0.9077 |
203 | RHU | 0.9076 |
204 | MET | 0.9075 |
205 | TEO | 0.9074 |
206 | GAB | 0.9073 |
207 | 8EW | 0.9073 |
208 | HPN | 0.9073 |
209 | S0H | 0.9072 |
210 | 3HB | 0.9068 |
211 | J9N | 0.9067 |
212 | 3LR | 0.9067 |
213 | RNS | 0.9066 |
214 | KBZ | 0.9066 |
215 | PBC | 0.9065 |
216 | BHO | 0.9063 |
217 | KVP | 0.9062 |
218 | F98 | 0.9060 |
219 | MPH | 0.9060 |
220 | OK7 | 0.9060 |
221 | PCT | 0.9059 |
222 | DAV | 0.9057 |
223 | 0L1 | 0.9056 |
224 | MES | 0.9055 |
225 | MHO | 0.9054 |
226 | PAF | 0.9051 |
227 | TB6 | 0.9051 |
228 | IFM | 0.9049 |
229 | 3HG | 0.9048 |
230 | VGL | 0.9047 |
231 | NLP | 0.9046 |
232 | TZL | 0.9046 |
233 | NBZ | 0.9045 |
234 | GWM | 0.9045 |
235 | FQI | 0.9045 |
236 | ABU | 0.9042 |
237 | AOS | 0.9041 |
238 | NTN | 0.9039 |
239 | SS1 | 0.9039 |
240 | TAU | 0.9038 |
241 | XUL | 0.9035 |
242 | 3FH | 0.9034 |
243 | 0VT | 0.9033 |
244 | PZA | 0.9033 |
245 | YCP | 0.9028 |
246 | 5FX | 0.9027 |
247 | 5XB | 0.9026 |
248 | RAT | 0.9026 |
249 | 11C | 0.9024 |
250 | HDA | 0.9023 |
251 | NIZ | 0.9023 |
252 | HZP | 0.9023 |
253 | PAC | 0.9022 |
254 | OVV | 0.9021 |
255 | SHV | 0.9018 |
256 | HHI | 0.9018 |
257 | IFP | 0.9018 |
258 | SPA | 0.9016 |
259 | ILE | 0.9015 |
260 | UN1 | 0.9015 |
261 | AG2 | 0.9014 |
262 | A13 | 0.9013 |
263 | 1HS | 0.9013 |
264 | COI | 0.9013 |
265 | SOR | 0.9012 |
266 | SMN | 0.9010 |
267 | UNU | 0.9009 |
268 | 3NT | 0.9009 |
269 | MXN | 0.9009 |
270 | QY9 | 0.9009 |
271 | PG0 | 0.9006 |
272 | ZBT | 0.9003 |
273 | 2CO | 0.9001 |
274 | 7WG | 0.9000 |
275 | GJZ | 0.8998 |
276 | DYA | 0.8997 |
277 | KDG | 0.8997 |
278 | TIH | 0.8997 |
279 | PZM | 0.8997 |
280 | PG3 | 0.8996 |
281 | GG6 | 0.8994 |
282 | K5W | 0.8993 |
283 | RSO | 0.8992 |
284 | FYU | 0.8988 |
285 | DYT | 0.8986 |
286 | AC6 | 0.8985 |
287 | EDR | 0.8985 |
288 | 173 | 0.8983 |
289 | MTL | 0.8983 |
290 | 7A8 | 0.8983 |
291 | NLE | 0.8979 |
292 | RNT | 0.8978 |
293 | K6V | 0.8978 |
294 | EKZ | 0.8977 |
295 | F9P | 0.8977 |
296 | AMH | 0.8977 |
297 | JYD | 0.8976 |
298 | THE | 0.8976 |
299 | HIO | 0.8975 |
300 | NMJ | 0.8974 |
301 | 0OC | 0.8974 |
302 | 2JJ | 0.8972 |
303 | K7M | 0.8972 |
304 | NPO | 0.8971 |
305 | FCN | 0.8970 |
306 | 3AB | 0.8970 |
307 | LEA | 0.8969 |
308 | GLY ALA | 0.8969 |
309 | 49F | 0.8968 |
310 | DZA | 0.8966 |
311 | TH7 | 0.8966 |
312 | HBA | 0.8965 |
313 | MZT | 0.8963 |
314 | URO | 0.8963 |
315 | TAR | 0.8963 |
316 | MNN | 0.8963 |
317 | LNO | 0.8961 |
318 | HYA | 0.8961 |
319 | DA4 | 0.8960 |
320 | KPL | 0.8960 |
321 | IZC | 0.8958 |
322 | GLO | 0.8957 |
323 | 54D | 0.8956 |
324 | ONH | 0.8955 |
325 | QSC | 0.8955 |
326 | 2BX | 0.8954 |
327 | PRO | 0.8953 |
328 | 2FT | 0.8952 |
329 | UGC | 0.8951 |
330 | SYM | 0.8949 |
331 | LFC | 0.8948 |
332 | 4XR | 0.8948 |
333 | 40E | 0.8946 |
334 | LPK | 0.8946 |
335 | 4NG | 0.8945 |
336 | 6M4 | 0.8945 |
337 | XRG | 0.8944 |
338 | M4S | 0.8943 |
339 | MED | 0.8941 |
340 | 8GL | 0.8941 |
341 | 14J | 0.8940 |
342 | 9YL | 0.8940 |
343 | XBT | 0.8939 |
344 | C2B | 0.8939 |
345 | 4JC | 0.8938 |
346 | TP5 | 0.8937 |
347 | SAT | 0.8937 |
348 | RBJ | 0.8937 |
349 | RMN | 0.8936 |
350 | PCA | 0.8936 |
351 | K34 | 0.8935 |
352 | B40 | 0.8935 |
353 | 3V4 | 0.8935 |
354 | DAS | 0.8934 |
355 | TPO | 0.8932 |
356 | DMV | 0.8932 |
357 | FBA | 0.8931 |
358 | 717 | 0.8930 |
359 | X1R | 0.8929 |
360 | PSJ | 0.8928 |
361 | PHB | 0.8927 |
362 | OCT | 0.8922 |
363 | DAR | 0.8922 |
364 | NM2 | 0.8920 |
365 | ITN | 0.8920 |
366 | 7C3 | 0.8920 |
367 | RUJ | 0.8919 |
368 | X0V | 0.8919 |
369 | ALA ALA | 0.8918 |
370 | GLL | 0.8916 |
371 | PHE | 0.8916 |
372 | HHH | 0.8914 |
373 | DHR | 0.8914 |
374 | L5V | 0.8914 |
375 | 4CS | 0.8913 |
376 | ORN | 0.8913 |
377 | 650 | 0.8911 |
378 | CXF | 0.8911 |
379 | UY7 | 0.8909 |
380 | 4JL | 0.8908 |
381 | 4FH | 0.8908 |
382 | 3QM | 0.8905 |
383 | 53C | 0.8905 |
384 | PHU | 0.8904 |
385 | 3BZ | 0.8903 |
386 | 1DJ | 0.8901 |
387 | KPC | 0.8900 |
388 | KOJ | 0.8899 |
389 | TPA | 0.8899 |
390 | J9T | 0.8899 |
391 | TZC | 0.8897 |
392 | 5OB | 0.8896 |
393 | ASO | 0.8893 |
394 | 7UC | 0.8893 |
395 | 273 | 0.8891 |
396 | S8V | 0.8890 |
397 | SMV | 0.8888 |
398 | TAG | 0.8887 |
399 | IOM | 0.8887 |
400 | R9M | 0.8886 |
401 | AHB | 0.8886 |
402 | HFA | 0.8883 |
403 | OTR | 0.8882 |
404 | M3H | 0.8882 |
405 | 2AS | 0.8880 |
406 | AEF | 0.8879 |
407 | SVD | 0.8879 |
408 | ETM | 0.8877 |
409 | ES2 | 0.8877 |
410 | BZ3 | 0.8876 |
411 | 9X7 | 0.8876 |
412 | FEH | 0.8876 |
413 | HQJ | 0.8874 |
414 | 2BG | 0.8872 |
415 | FBU | 0.8870 |
416 | CHT | 0.8870 |
417 | M45 | 0.8870 |
418 | 16D | 0.8869 |
419 | ILO | 0.8869 |
420 | XSP | 0.8869 |
421 | I38 | 0.8868 |
422 | BNF | 0.8867 |
423 | 4FA | 0.8866 |
424 | NSD | 0.8866 |
425 | TYL | 0.8866 |
426 | FOA | 0.8864 |
427 | ORO | 0.8863 |
428 | P7I | 0.8862 |
429 | BUB | 0.8861 |
430 | UYA | 0.8861 |
431 | SSN | 0.8859 |
432 | OOG | 0.8859 |
433 | J0Z | 0.8857 |
434 | B3U | 0.8856 |
435 | PKU | 0.8856 |
436 | YRL | 0.8856 |
437 | PAB | 0.8855 |
438 | 3HP | 0.8853 |
439 | PEA | 0.8852 |
440 | DER | 0.8852 |
441 | HIC | 0.8852 |
442 | OCA | 0.8851 |
443 | DPN | 0.8851 |
444 | C21 | 0.8851 |
445 | HY1 | 0.8849 |
446 | CMS | 0.8849 |
447 | I2M | 0.8847 |
448 | 4VP | 0.8846 |
449 | TCA | 0.8846 |
450 | DHB | 0.8846 |
451 | G2F | 0.8846 |
452 | TIU | 0.8844 |
453 | 5XC | 0.8843 |
454 | M4T | 0.8843 |
455 | 8GC | 0.8843 |
456 | 9SB | 0.8841 |
457 | I1E | 0.8839 |
458 | IHG | 0.8839 |
459 | 4SX | 0.8838 |
460 | SNE | 0.8836 |
461 | LCN | 0.8834 |
462 | BDP | 0.8833 |
463 | BP9 | 0.8833 |
464 | S2P | 0.8833 |
465 | 069 | 0.8833 |
466 | FAN | 0.8830 |
467 | ARG | 0.8827 |
468 | FK8 | 0.8826 |
469 | KMT | 0.8826 |
470 | DOR | 0.8825 |
471 | 2AL | 0.8824 |
472 | GRO | 0.8822 |
473 | PIM | 0.8822 |
474 | 23J | 0.8820 |
475 | M1T | 0.8820 |
476 | 9YT | 0.8820 |
477 | M6W | 0.8819 |
478 | 8OZ | 0.8818 |
479 | IPB | 0.8818 |
480 | DBX | 0.8817 |
481 | XIY | 0.8813 |
482 | AFS | 0.8811 |
483 | SHI | 0.8811 |
484 | OVM | 0.8811 |
485 | B24 | 0.8811 |
486 | HMU | 0.8810 |
487 | A8C | 0.8810 |
488 | MEV | 0.8810 |
489 | 3AL | 0.8809 |
490 | O45 | 0.8809 |
491 | DCL | 0.8809 |
492 | PYC | 0.8808 |
493 | 3MV | 0.8808 |
494 | HCI | 0.8806 |
495 | Z82 | 0.8806 |
496 | KBB | 0.8806 |
497 | QSB | 0.8805 |
498 | NOJ | 0.8805 |
499 | 4NC | 0.8805 |
500 | PBZ | 0.8805 |
501 | 1P8 | 0.8804 |
502 | HBD | 0.8802 |
503 | PIY | 0.8802 |
504 | SOL | 0.8800 |
505 | FLA | 0.8798 |
506 | PO6 | 0.8797 |
507 | GGB | 0.8797 |
508 | INO | 0.8796 |
509 | ODV | 0.8794 |
510 | IFL | 0.8790 |
511 | AC0 | 0.8790 |
512 | H42 | 0.8790 |
513 | HSE | 0.8789 |
514 | NFA | 0.8788 |
515 | 4HM | 0.8786 |
516 | ET2 | 0.8786 |
517 | DEZ | 0.8786 |
518 | 268 | 0.8786 |
519 | R20 | 0.8785 |
520 | URS | 0.8784 |
521 | KTA | 0.8783 |
522 | PEL | 0.8783 |
523 | HYP | 0.8782 |
524 | HDH | 0.8782 |
525 | HCS | 0.8781 |
526 | F60 | 0.8778 |
527 | HF2 | 0.8777 |
528 | PPY | 0.8776 |
529 | BHU | 0.8776 |
530 | NYL | 0.8772 |
531 | 4MA | 0.8772 |
532 | 271 | 0.8772 |
533 | FJO | 0.8771 |
534 | ABN | 0.8770 |
535 | XPO | 0.8770 |
536 | 6OT | 0.8770 |
537 | 4JM | 0.8769 |
538 | ZZT | 0.8766 |
539 | 4WL | 0.8765 |
540 | 1M2 | 0.8764 |
541 | E5X | 0.8763 |
542 | FA0 | 0.8763 |
543 | XIZ | 0.8763 |
544 | HL4 | 0.8761 |
545 | PBA | 0.8761 |
546 | HMH | 0.8760 |
547 | 23W | 0.8760 |
548 | MR1 | 0.8760 |
549 | 2EH | 0.8760 |
550 | HE2 | 0.8758 |
551 | 1Y6 | 0.8758 |
552 | 5MI | 0.8758 |
553 | Q03 | 0.8757 |
554 | BPN | 0.8756 |
555 | UFV | 0.8756 |
556 | FK1 | 0.8755 |
557 | M58 | 0.8753 |
558 | NXA | 0.8753 |
559 | GLY CYS | 0.8753 |
560 | TZE | 0.8752 |
561 | 93K | 0.8752 |
562 | P9P | 0.8750 |
563 | 11S | 0.8750 |
564 | CIZ | 0.8749 |
565 | CXP | 0.8748 |
566 | MAH | 0.8748 |
567 | KIV | 0.8747 |
568 | VX | 0.8747 |
569 | ABV | 0.8747 |
570 | 2K4 | 0.8745 |
571 | TYE | 0.8745 |
572 | JBN | 0.8744 |
573 | 4P5 | 0.8744 |
574 | 4BZ | 0.8744 |
575 | AMC | 0.8743 |
576 | AHR | 0.8743 |
577 | H4N | 0.8741 |
578 | 7MU | 0.8741 |
579 | 4JU | 0.8741 |
580 | FA1 | 0.8740 |
581 | 5CU | 0.8740 |
582 | 24B | 0.8740 |
583 | LER | 0.8740 |
584 | 1DU | 0.8738 |
585 | MLI | 0.8737 |
586 | 1CO | 0.8737 |
587 | 6AI | 0.8736 |
588 | 6NI | 0.8735 |
589 | CHB | 0.8735 |
590 | SYN | 0.8734 |
591 | N4B | 0.8733 |
592 | ANN | 0.8733 |
593 | 826 | 0.8732 |
594 | Q02 | 0.8732 |
595 | RUU | 0.8732 |
596 | SSB | 0.8731 |
597 | 5NU | 0.8731 |
598 | MNM | 0.8730 |
599 | PRA | 0.8729 |
600 | AHN | 0.8729 |
601 | 4HP | 0.8728 |
602 | 1P3 | 0.8728 |
603 | MYJ | 0.8728 |
604 | MAK | 0.8726 |
605 | MAJ | 0.8725 |
606 | WCE | 0.8725 |
607 | 36E | 0.8724 |
608 | P72 | 0.8723 |
609 | IWT | 0.8722 |
610 | L14 | 0.8722 |
611 | 5H1 | 0.8722 |
612 | PNZ | 0.8721 |
613 | NCT | 0.8719 |
614 | 2HO | 0.8718 |
615 | DHS | 0.8717 |
616 | MSR | 0.8717 |
617 | 14O | 0.8716 |
618 | JAE | 0.8715 |
619 | IPU | 0.8714 |
620 | 264 | 0.8713 |
621 | JZ7 | 0.8711 |
622 | PJL | 0.8711 |
623 | 911 | 0.8710 |
624 | 5MB | 0.8709 |
625 | MSE | 0.8709 |
626 | ES9 | 0.8706 |
627 | MRY | 0.8706 |
628 | DLT | 0.8705 |
629 | I4B | 0.8705 |
630 | 9SE | 0.8704 |
631 | 9TW | 0.8703 |
632 | AX7 | 0.8702 |
633 | AEG | 0.8701 |
634 | 9RW | 0.8699 |
635 | 3MB | 0.8699 |
636 | 6TZ | 0.8696 |
637 | NOY | 0.8696 |
638 | DOB | 0.8695 |
639 | HSM | 0.8693 |
640 | 7VP | 0.8693 |
641 | R2P | 0.8693 |
642 | 4M0 | 0.8692 |
643 | MPV | 0.8692 |
644 | A3M | 0.8691 |
645 | F4E | 0.8690 |
646 | DMJ | 0.8690 |
647 | 4NM | 0.8687 |
648 | EVF | 0.8687 |
649 | 4JT | 0.8687 |
650 | JZ5 | 0.8687 |
651 | MRZ | 0.8685 |
652 | TFB | 0.8683 |
653 | PRS | 0.8682 |
654 | IHB | 0.8681 |
655 | BHA | 0.8679 |
656 | QUS | 0.8679 |
657 | BE7 | 0.8677 |
658 | ENV | 0.8675 |
659 | CN0 | 0.8675 |
660 | CSS | 0.8674 |
661 | FBB | 0.8674 |
662 | BDF | 0.8673 |
663 | HX4 | 0.8671 |
664 | CIR | 0.8670 |
665 | 1L5 | 0.8670 |
666 | COU | 0.8668 |
667 | 4FS | 0.8666 |
668 | R9S | 0.8665 |
669 | SNU | 0.8665 |
670 | 5HN | 0.8664 |
671 | 2F6 | 0.8662 |
672 | 4ZA | 0.8662 |
673 | 5GU | 0.8661 |
674 | SYV | 0.8660 |
675 | BTL | 0.8660 |
676 | 270 | 0.8658 |
677 | BRT | 0.8657 |
678 | 3DM | 0.8655 |
679 | MZW | 0.8653 |
680 | CPZ | 0.8653 |
681 | 41K | 0.8653 |
682 | NSP | 0.8651 |
683 | TZF | 0.8650 |
684 | MAN | 0.8649 |
685 | LLH | 0.8647 |
686 | 2D8 | 0.8644 |
687 | O8Y | 0.8644 |
688 | 92K | 0.8643 |
689 | 8SZ | 0.8642 |
690 | 4SD | 0.8639 |
691 | OW4 | 0.8639 |
692 | 4NZ | 0.8637 |
693 | MLE | 0.8636 |
694 | LDP | 0.8632 |
695 | L99 | 0.8632 |
696 | RM1 | 0.8631 |
697 | S7J | 0.8630 |
698 | LNR | 0.8628 |
699 | 36Y | 0.8627 |
700 | 5RP | 0.8626 |
701 | 2MH | 0.8626 |
702 | SW7 | 0.8625 |
703 | 5NI | 0.8623 |
704 | BCU | 0.8622 |
705 | XXG | 0.8622 |
706 | OHG | 0.8620 |
707 | 4LV | 0.8620 |
708 | XX2 | 0.8620 |
709 | XRX | 0.8617 |
710 | Z13 | 0.8617 |
711 | GVG | 0.8615 |
712 | CEE | 0.8615 |
713 | H8N | 0.8614 |
714 | C5A | 0.8613 |
715 | LY0 | 0.8612 |
716 | OAF | 0.8610 |
717 | AZM | 0.8605 |
718 | 8WO | 0.8603 |
719 | 42J | 0.8603 |
720 | SHA | 0.8599 |
721 | DDK | 0.8596 |
722 | CTL | 0.8596 |
723 | BNL | 0.8595 |
724 | R2B | 0.8594 |
725 | 263 | 0.8593 |
726 | 1AB | 0.8591 |
727 | 1DW | 0.8589 |
728 | MT2 | 0.8583 |
729 | GIF | 0.8581 |
730 | 4A3 | 0.8580 |
731 | 64Z | 0.8572 |
732 | 3PO | 0.8570 |
733 | PH3 | 0.8566 |
734 | AOT | 0.8561 |
735 | B09 | 0.8555 |
736 | 52C | 0.8554 |
737 | J9Q | 0.8549 |
738 | BAE | 0.8544 |
739 | 34V | 0.8542 |
740 | 6NT | 0.8541 |
741 | RUY | 0.8539 |
742 | CIT | 0.8538 |
743 | 97T | 0.8537 |
744 | A29 | 0.8537 |
745 | DIE | 0.8535 |
746 | 2ZM | 0.8534 |
747 | API | 0.8524 |
748 | LDU | 0.8514 |
749 | JAW | 0.8513 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | SER PLP | 0.9965 |
2 | PLP SER | 0.9903 |
3 | PLP ALO | 0.9650 |
4 | PLP CYS | 0.9593 |
5 | PLI | 0.9519 |
6 | PLP GLY | 0.9432 |
7 | GLY PLP | 0.9429 |
8 | PLP 2TL | 0.9388 |
9 | KET | 0.9376 |
10 | ASP PLP | 0.9376 |
11 | L7N | 0.9295 |
12 | MET PLP | 0.9264 |
13 | PLP MET | 0.9232 |
14 | MPM | 0.9224 |
15 | 3QP | 0.9195 |
16 | PLP 0A0 | 0.9152 |
17 | PM9 | 0.9147 |
18 | HCP | 0.9134 |
19 | PLP AOA | 0.9130 |
20 | PLP 2ML | 0.9083 |
21 | LEU PLP | 0.9019 |
22 | PLP 999 | 0.8819 |
23 | 07U | 0.8795 |
24 | PLP SEP | 0.8732 |
25 | IRG | 0.8682 |
26 | 8JF | 0.8619 |
27 | P19 | 0.8540 |
This union binding pocket(no: 1) in the query (biounit: 1cx9.bio1) has 74 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1cx9.bio1) has 74 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |