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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 426 families. | |||||
1 | 5D21 | - | 56N | C12 H16 O6 | c1ccc(cc1).... |
2 | 4LJH | Kd = 19.4 uM | MHD GAL | n/a | n/a |
3 | 4YWA | Kd = 28 nM | 4J9 | C40 H60 N12 O24 | c1c(nnn1[C.... |
4 | 2VXJ | - | BGC GAL GLA | n/a | n/a |
5 | 4LKF | Kd = 4.3 uM | GAL TRP LYS TYR LEU PHB | n/a | n/a |
6 | 3ZYF | Kd = 14.1 uM | 147 | C12 H15 N O8 | c1cc(ccc1[.... |
7 | 5MIH | ic50 = 64 uM | 7NU | C13 H16 O6 | c1ccc(cc1).... |
8 | 4LK7 | Kd = 9.1 uM | 04G GAL | n/a | n/a |
9 | 3ZYH | Kd = 51.5 uM | G0S LYS PRO LEU NH2 | n/a | n/a |
10 | 4LKD | Kd = 4.5 uM | GAL GLN ARG SER ALA PHB | n/a | n/a |
11 | 1OKO | Ka = 34000 M^-1 | GAL | C6 H12 O6 | C([C@@H]1[.... |
12 | 4LKE | Kd = 4.3 uM | GAL TRP ARG ILE ALA PHB | n/a | n/a |
13 | 2WYF | Kd = 37 uM | MBG GLA | n/a | n/a |
14 | 3ZYB | Kd = 4.2 uM | GAL LYS PRO LEU NH2 PHB | n/a | n/a |
15 | 6YO3 | Kd = 1.11 mM | P3K | C7 H5 N O2 | c1cc(c(c(c.... |
16 | 4YW7 | Kd = 130 nM | 4J0 | C44 H68 N12 O24 | c1c(nnn1[C.... |
17 | 4YW6 | - | G0P | C23 H35 N3 O8 | c1cc(ccc1C.... |
18 | 4AL9 | Kd = 38.8 uM | GLC GLA | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 322 families. | |||||
1 | 5D21 | - | 56N | C12 H16 O6 | c1ccc(cc1).... |
2 | 4LJH | Kd = 19.4 uM | MHD GAL | n/a | n/a |
3 | 4YWA | Kd = 28 nM | 4J9 | C40 H60 N12 O24 | c1c(nnn1[C.... |
4 | 2VXJ | - | BGC GAL GLA | n/a | n/a |
5 | 4LKF | Kd = 4.3 uM | GAL TRP LYS TYR LEU PHB | n/a | n/a |
6 | 3ZYF | Kd = 14.1 uM | 147 | C12 H15 N O8 | c1cc(ccc1[.... |
7 | 5MIH | ic50 = 64 uM | 7NU | C13 H16 O6 | c1ccc(cc1).... |
8 | 4LK7 | Kd = 9.1 uM | 04G GAL | n/a | n/a |
9 | 3ZYH | Kd = 51.5 uM | G0S LYS PRO LEU NH2 | n/a | n/a |
10 | 4LKD | Kd = 4.5 uM | GAL GLN ARG SER ALA PHB | n/a | n/a |
11 | 1OKO | Ka = 34000 M^-1 | GAL | C6 H12 O6 | C([C@@H]1[.... |
12 | 4LKE | Kd = 4.3 uM | GAL TRP ARG ILE ALA PHB | n/a | n/a |
13 | 2WYF | Kd = 37 uM | MBG GLA | n/a | n/a |
14 | 3ZYB | Kd = 4.2 uM | GAL LYS PRO LEU NH2 PHB | n/a | n/a |
15 | 6YO3 | Kd = 1.11 mM | P3K | C7 H5 N O2 | c1cc(c(c(c.... |
16 | 4YW7 | Kd = 130 nM | 4J0 | C44 H68 N12 O24 | c1c(nnn1[C.... |
17 | 4YW6 | - | G0P | C23 H35 N3 O8 | c1cc(ccc1C.... |
18 | 4AL9 | Kd = 38.8 uM | GLC GLA | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GAL LYS PRO LEU NH2 PHB | 1 | 1 |
2 | G0P | 0.535088 | 0.913043 |
3 | GAL TRP LYS TYR LEU PHB | 0.461538 | 0.816901 |
4 | 2G0 | 0.420635 | 0.871429 |
5 | GLY THR LYS PRO PRO LEU GLU GLU LEU A2G | 0.412903 | 0.915493 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | GAL PHB | 1 | 1 |
2 | GAT | 0.686275 | 0.804878 |
3 | 56N | 0.634615 | 0.970588 |
4 | GLA NPO | 0.614035 | 0.634615 |
5 | 147 | 0.614035 | 0.634615 |
6 | PNA | 0.614035 | 0.634615 |
7 | NBZ GLA | 0.614035 | 0.634615 |
8 | PNW | 0.614035 | 0.634615 |
9 | MBE | 0.614035 | 0.634615 |
10 | PNG | 0.614035 | 0.634615 |
11 | 3X8 | 0.586207 | 0.916667 |
12 | HNW | 0.566667 | 0.891892 |
13 | EJN | 0.548387 | 0.804878 |
14 | GAA | 0.5 | 0.622642 |
15 | GLA BEZ | 0.5 | 0.971429 |
16 | 7KP | 0.485294 | 0.916667 |
17 | NGB | 0.478873 | 0.611111 |
18 | 6GR | 0.461538 | 0.944444 |
19 | NPJ | 0.458333 | 0.611111 |
20 | ZZ1 GAL | 0.450704 | 0.829268 |
21 | RCB | 0.445946 | 0.611111 |
22 | SA0 | 0.444444 | 0.916667 |
23 | GAL GLN ARG SER ALA PHB | 0.440476 | 0.62963 |
24 | 145 | 0.432836 | 0.611111 |
25 | GYP | 0.423077 | 0.783784 |
26 | MBG | 0.423077 | 0.783784 |
27 | MMA | 0.423077 | 0.783784 |
28 | AMG | 0.423077 | 0.783784 |
29 | 04G GAL | 0.418919 | 0.733333 |
30 | GL1 | 0.418182 | 0.681818 |
31 | M1P | 0.418182 | 0.681818 |
32 | G1P | 0.418182 | 0.681818 |
33 | XGP | 0.418182 | 0.681818 |
34 | AI1 | 0.410256 | 0.772727 |
35 | MHD GAL | 0.402778 | 0.611111 |
36 | HNV | 0.4 | 0.846154 |
37 | DZN | 0.4 | 0.809524 |
No: | Ligand | Similarity coefficient |
---|
No: | Ligand | Similarity coefficient |
---|---|---|
1 | GAL NPO | 0.9662 |
2 | PNJ | 0.9457 |
3 | C3G | 0.9246 |
4 | 7NU | 0.9164 |
5 | BO1 | 0.9155 |
6 | NAR | 0.9084 |
7 | QC1 | 0.9068 |
8 | KHP | 0.9062 |
9 | CT7 | 0.9057 |
10 | F0C | 0.9040 |
11 | 697 | 0.9027 |
12 | TCW | 0.9012 |
13 | 6T5 | 0.8999 |
14 | LI7 | 0.8999 |
15 | 205 | 0.8966 |
16 | 40W | 0.8945 |
17 | LVB | 0.8923 |
18 | PTQ | 0.8915 |
19 | MQ1 | 0.8887 |
20 | 553 | 0.8884 |
21 | XYP XYP | 0.8877 |
22 | BNY | 0.8876 |
23 | MRE | 0.8874 |
24 | AX4 | 0.8873 |
25 | EMU | 0.8872 |
26 | AUY | 0.8871 |
27 | GVI | 0.8859 |
28 | 338 | 0.8858 |
29 | TYP | 0.8852 |
30 | 244 | 0.8851 |
31 | 7ZO | 0.8847 |
32 | 5YA | 0.8840 |
33 | TLF | 0.8840 |
34 | JFZ | 0.8839 |
35 | MHB | 0.8826 |
36 | XYS XYP | 0.8819 |
37 | 88X | 0.8819 |
38 | BXZ | 0.8818 |
39 | VT3 | 0.8804 |
40 | BJ4 | 0.8801 |
41 | BGC GAL | 0.8794 |
42 | IKY | 0.8791 |
43 | UKW | 0.8790 |
44 | 3TI | 0.8783 |
45 | 3WK | 0.8779 |
46 | M01 | 0.8777 |
47 | 1FL | 0.8773 |
48 | NW1 | 0.8772 |
49 | ZEA | 0.8767 |
50 | FNA | 0.8761 |
51 | AYS | 0.8761 |
52 | ELH | 0.8760 |
53 | UN4 | 0.8759 |
54 | XYP XIM | 0.8759 |
55 | RGG | 0.8754 |
56 | M3W | 0.8752 |
57 | 3WJ | 0.8752 |
58 | 97K | 0.8748 |
59 | DL6 | 0.8744 |
60 | 50Q | 0.8742 |
61 | T98 | 0.8725 |
62 | F1T | 0.8724 |
63 | JFS | 0.8721 |
64 | GLC BGC | 0.8717 |
65 | U55 | 0.8717 |
66 | 5WW | 0.8715 |
67 | SGW | 0.8715 |
68 | 22M | 0.8712 |
69 | 4K2 | 0.8707 |
70 | H35 | 0.8705 |
71 | 25K | 0.8700 |
72 | ID8 | 0.8697 |
73 | 8UY | 0.8693 |
74 | W8L | 0.8689 |
75 | XDL XYP | 0.8668 |
76 | E9L | 0.8666 |
77 | LI4 | 0.8659 |
78 | BQZ | 0.8656 |
79 | NFG | 0.8654 |
80 | H2W | 0.8651 |
81 | CDJ | 0.8648 |
82 | XDN XYP | 0.8646 |
83 | LKS | 0.8646 |
84 | XYP XDN | 0.8645 |
85 | XYS AZI XYS | 0.8643 |
86 | FLF | 0.8641 |
87 | A7K | 0.8635 |
88 | INI | 0.8632 |
89 | 121 | 0.8625 |
90 | 8M5 | 0.8620 |
91 | CWP | 0.8617 |
92 | T5J | 0.8615 |
93 | 67B | 0.8612 |
94 | 12R | 0.8603 |
95 | 3GX | 0.8601 |
96 | FHI | 0.8595 |
97 | BGK | 0.8594 |
98 | 1V8 | 0.8592 |
99 | M2E | 0.8586 |
100 | A63 | 0.8580 |
101 | 100 | 0.8577 |
102 | 6QX | 0.8571 |
103 | 5NN | 0.8567 |
104 | TQ4 | 0.8566 |
105 | 73E | 0.8563 |
106 | 6BK | 0.8563 |
107 | J90 | 0.8557 |
108 | 6PB | 0.8553 |
109 | 6MY | 0.8548 |
110 | 16Z | 0.8545 |
111 | B7H | 0.8544 |
112 | LEC | 0.8531 |
This union binding pocket(no: 1) in the query (biounit: 4ywa.bio2) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4ywa.bio2) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4ywa.bio1) has 34 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4ywa.bio1) has 42 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |