- Navigate
- Expand All | Collapse All
- Receptor | Ligand | View in 3D
- Family: 90% | 70% | 50% | site
- External Links
- |
- Download
- 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 2 families. | |||||
1 | 4CL6 | Ka = 247000 M^-1 | 7SB | C13 H11 Cl N4 O | c1cc(oc1)c.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4CL6 | Ka = 247000 M^-1 | 7SB | C13 H11 Cl N4 O | c1cc(oc1)c.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 7SB | 1 | 1 |
No: | Ligand | Similarity coefficient |
---|---|---|
1 | EUB | 0.9461 |
2 | S38 | 0.9352 |
3 | MH5 | 0.9262 |
4 | OX3 | 0.9162 |
5 | 4UJ | 0.9129 |
6 | HCC | 0.9128 |
7 | EUK | 0.9122 |
8 | DN8 | 0.9121 |
9 | 658 | 0.9105 |
10 | FO5 | 0.9097 |
11 | 20P | 0.9084 |
12 | F91 | 0.9077 |
13 | M62 | 0.9073 |
14 | F7L | 0.9057 |
15 | 4KN | 0.9052 |
16 | LJV | 0.9029 |
17 | SE5 | 0.9026 |
18 | F13 | 0.9010 |
19 | 38D | 0.8996 |
20 | S16 | 0.8990 |
21 | JVB | 0.8982 |
22 | 1UA | 0.8977 |
23 | 4BG | 0.8960 |
24 | RO3 | 0.8959 |
25 | 4WA | 0.8958 |
26 | BUN | 0.8957 |
27 | AU6 | 0.8946 |
28 | 00G | 0.8946 |
29 | P0F | 0.8944 |
30 | 0J6 | 0.8926 |
31 | GKW | 0.8924 |
32 | AUQ | 0.8892 |
33 | IPJ | 0.8882 |
34 | 6IP | 0.8875 |
35 | DP8 | 0.8855 |
36 | ZUF | 0.8844 |
37 | 68Q | 0.8842 |
38 | 87F | 0.8837 |
39 | EWT | 0.8837 |
40 | GQZ | 0.8830 |
41 | 2ZT | 0.8826 |
42 | 2JP | 0.8826 |
43 | L02 | 0.8824 |
44 | XO3 | 0.8823 |
45 | 9M9 | 0.8822 |
46 | F5N | 0.8822 |
47 | ZQC | 0.8812 |
48 | JOQ | 0.8812 |
49 | 16J | 0.8807 |
50 | D9Q | 0.8804 |
51 | UV4 | 0.8798 |
52 | NZ4 | 0.8792 |
53 | F41 | 0.8787 |
54 | E8Z | 0.8783 |
55 | KVD | 0.8783 |
56 | EBB | 0.8777 |
57 | 8IP | 0.8775 |
58 | T34 | 0.8770 |
59 | OYS | 0.8759 |
60 | B7U | 0.8755 |
61 | E98 | 0.8754 |
62 | 55H | 0.8752 |
63 | 4PG | 0.8751 |
64 | 7O8 | 0.8745 |
65 | E92 | 0.8741 |
66 | T61 | 0.8737 |
67 | 9N2 | 0.8736 |
68 | HTK | 0.8732 |
69 | GT2 | 0.8732 |
70 | 124 | 0.8732 |
71 | GOW | 0.8728 |
72 | JZJ | 0.8726 |
73 | RO8 | 0.8721 |
74 | 88S | 0.8717 |
75 | JPW | 0.8714 |
76 | 80R | 0.8707 |
77 | JV8 | 0.8706 |
78 | A9E | 0.8699 |
79 | 120 | 0.8694 |
80 | 3TH | 0.8684 |
81 | 4ZW | 0.8681 |
82 | HPX | 0.8681 |
83 | XZ1 | 0.8673 |
84 | CWP | 0.8669 |
85 | NZO | 0.8663 |
86 | X2L | 0.8655 |
87 | PWH | 0.8654 |
88 | 30Z | 0.8651 |
89 | KWD | 0.8639 |
90 | AD6 | 0.8634 |
91 | 4VR | 0.8631 |
92 | 3RC | 0.8624 |
93 | HY7 | 0.8621 |
94 | 0QX | 0.8612 |
95 | Y27 | 0.8611 |
96 | U73 | 0.8605 |
97 | 6XR | 0.8593 |
98 | 23M | 0.8592 |
99 | 4F7 | 0.8592 |
100 | 35K | 0.8590 |
101 | SBW | 0.8587 |
102 | LIT | 0.8586 |
103 | AZU | 0.8580 |
104 | HAU | 0.8580 |
105 | FSB | 0.8564 |
106 | K97 | 0.8559 |
107 | 1PB | 0.8555 |
108 | JCQ | 0.8549 |
109 | D4X | 0.8531 |
110 | 9PC | 0.8530 |
111 | 22M | 0.8525 |
112 | 0RY | 0.8523 |
113 | 4JV | 0.8520 |
This union binding pocket(no: 1) in the query (biounit: 4cl6.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4cl6.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4cl6.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 4cl6.bio2) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 4cl6.bio3) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 4cl6.bio3) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |