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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4OWN | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
2 | 4X5C | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
3 | 4X58 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
4 | 4OWV | Ki = 45 uM | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
5 | 4X5D | - | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
6 | 4N8Q | Ki = 380 uM | FA0 | C7 H6 F N O2 | c1cc(c(cc1.... |
7 | 4OWS | - | 4M0 | C8 H9 N O2 | Cc1ccc(c(c.... |
8 | 4X59 | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
9 | 4N5V | - | FA0 | C7 H6 F N O2 | c1cc(c(cc1.... |
10 | 4GIU | Ki = 4.7 uM | 636 | C16 H15 N O4 | Cc1ccc(c(c.... |
11 | 4OWM | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
12 | 4OWU | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
13 | 4OWO | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
14 | 4X5E | Ki = 89 uM | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
15 | 4IJ1 | Ki = 4 uM | 17C | C14 H11 N O4 | c1ccc(c(c1.... |
16 | 4N93 | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
17 | 4OWQ | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
18 | 4X5B | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
19 | 4M0R | Ki = 6.2 uM | 644 | C21 H16 N2 O6 | c1ccc(c(c1.... |
20 | 4GKM | Ki = 6.8 uM | 683 | C15 H13 N O4 | Cc1ccc(c(c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 4OWN | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
2 | 4X5C | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
3 | 4X58 | - | MLT | C4 H6 O5 | C([C@H](C(.... |
4 | 4OWV | Ki = 45 uM | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
5 | 4X5D | - | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
6 | 4N8Q | Ki = 380 uM | FA0 | C7 H6 F N O2 | c1cc(c(cc1.... |
7 | 4OWS | - | 4M0 | C8 H9 N O2 | Cc1ccc(c(c.... |
8 | 4X59 | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
9 | 4N5V | - | FA0 | C7 H6 F N O2 | c1cc(c(cc1.... |
10 | 4GIU | Ki = 4.7 uM | 636 | C16 H15 N O4 | Cc1ccc(c(c.... |
11 | 4OWM | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
12 | 4OWU | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
13 | 4OWO | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
14 | 4X5E | Ki = 89 uM | BE2 | C7 H7 N O2 | c1ccc(c(c1.... |
15 | 4IJ1 | Ki = 4 uM | 17C | C14 H11 N O4 | c1ccc(c(c1.... |
16 | 4N93 | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
17 | 4OWQ | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
18 | 4X5B | - | PRP | C5 H13 O14 P3 | C([C@@H]1[.... |
19 | 4M0R | Ki = 6.2 uM | 644 | C21 H16 N2 O6 | c1ccc(c(c1.... |
20 | 4GKM | Ki = 6.8 uM | 683 | C15 H13 N O4 | Cc1ccc(c(c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 17C | 1 | 1 |
2 | 644 | 0.72973 | 0.933333 |
3 | 683 | 0.651163 | 0.965517 |
4 | OFL | 0.642857 | 0.787879 |
5 | EHO | 0.641026 | 0.857143 |
6 | ID8 | 0.627907 | 0.8 |
7 | TLF | 0.6 | 0.727273 |
8 | EHR | 0.586957 | 0.827586 |
9 | BNY | 0.55102 | 0.651163 |
10 | 5E4 | 0.543478 | 0.75 |
11 | CJZ | 0.543478 | 0.742857 |
12 | ZZ8 | 0.538462 | 0.75 |
13 | EH6 | 0.529412 | 0.757576 |
14 | P2C | 0.52 | 0.692308 |
15 | FLF | 0.5 | 0.727273 |
16 | JMS | 0.5 | 0.757576 |
17 | EHU | 0.482143 | 0.694444 |
18 | 3B4 | 0.446809 | 0.638889 |
19 | FUZ | 0.42 | 0.615385 |
20 | BE2 | 0.416667 | 0.758621 |
21 | M7O | 0.403846 | 0.634146 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | 6J3 | 0.9396 |
2 | WOE | 0.9258 |
3 | 43S | 0.9227 |
4 | 64I | 0.9222 |
5 | 636 | 0.9217 |
6 | 43U | 0.9208 |
7 | 145 | 0.9127 |
8 | EZN | 0.9087 |
9 | 8P3 | 0.9087 |
10 | 6EN | 0.9086 |
11 | EAJ | 0.9081 |
12 | XZ8 | 0.9014 |
13 | Z16 | 0.8998 |
14 | 2GD | 0.8984 |
15 | A4G | 0.8980 |
16 | ELH | 0.8965 |
17 | W29 | 0.8956 |
18 | 4E5 | 0.8953 |
19 | SA0 | 0.8925 |
20 | DIF | 0.8925 |
21 | 581 | 0.8896 |
22 | Z2T | 0.8896 |
23 | DBQ | 0.8868 |
24 | NOS | 0.8854 |
25 | HO4 | 0.8849 |
26 | Z15 | 0.8847 |
27 | Q2R | 0.8844 |
28 | B2T | 0.8842 |
29 | 4GU | 0.8837 |
30 | Z57 | 0.8831 |
31 | BGC OXZ | 0.8825 |
32 | 9MR | 0.8821 |
33 | 6GR | 0.8817 |
34 | IMB | 0.8808 |
35 | IFM BMA | 0.8795 |
36 | TCC | 0.8792 |
37 | 27M | 0.8790 |
38 | 6PB | 0.8789 |
39 | ADN | 0.8786 |
40 | ACE TRP | 0.8770 |
41 | IMQ | 0.8768 |
42 | 5I5 | 0.8757 |
43 | BGC BGC | 0.8752 |
44 | RPP | 0.8752 |
45 | LUR | 0.8751 |
46 | AUV | 0.8749 |
47 | THM | 0.8746 |
48 | WVV | 0.8745 |
49 | PUR | 0.8737 |
50 | AFX | 0.8735 |
51 | SOV | 0.8732 |
52 | AJD | 0.8724 |
53 | 38B | 0.8723 |
54 | FMB | 0.8718 |
55 | X11 | 0.8711 |
56 | IFM BGC | 0.8710 |
57 | 5UD | 0.8709 |
58 | TBN | 0.8705 |
59 | BBY | 0.8703 |
60 | RVN | 0.8695 |
61 | AYS | 0.8693 |
62 | ZT2 | 0.8688 |
63 | URI | 0.8683 |
64 | 5ID | 0.8683 |
65 | C0H | 0.8678 |
66 | H70 | 0.8676 |
67 | SNI | 0.8673 |
68 | FUC GAL | 0.8671 |
69 | SLY | 0.8669 |
70 | CTN | 0.8662 |
71 | BGC GAL | 0.8659 |
72 | GLC GAL | 0.8645 |
73 | AKD | 0.8645 |
74 | B23 | 0.8640 |
75 | PBQ | 0.8638 |
76 | 774 | 0.8638 |
77 | ZT4 | 0.8637 |
78 | A3Q | 0.8634 |
79 | XIF XYP | 0.8633 |
80 | XYP XIF | 0.8633 |
81 | 3RP | 0.8629 |
82 | 9DI | 0.8620 |
83 | 6J9 | 0.8615 |
84 | G30 | 0.8613 |
85 | CMU | 0.8610 |
86 | F01 | 0.8607 |
87 | NE1 | 0.8602 |
88 | MG7 | 0.8601 |
89 | QZ8 | 0.8591 |
90 | 2LX | 0.8589 |
91 | 36Z | 0.8587 |
92 | 1DA | 0.8582 |
93 | 5FD | 0.8575 |
94 | Y3J | 0.8572 |
95 | BXZ | 0.8567 |
96 | 5N5 | 0.8566 |
97 | 1ER | 0.8560 |
98 | KCH | 0.8558 |
99 | GLC BGC | 0.8556 |
100 | FC3 | 0.8555 |
101 | UJ6 | 0.8554 |
102 | RVC | 0.8554 |
103 | GLC GLC | 0.8553 |
104 | DBS | 0.8538 |
105 | 25O | 0.8538 |
106 | FHI | 0.8536 |
107 | IMH | 0.8522 |
108 | TAL | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 4m0r.bio1) has 45 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4m0r.bio1) has 44 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |