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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 35 families. | |||||
1 | 5WJD | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
2 | 5WJE | ic50 = 0.38 uM | ASP ASP ASP ILE NH2 CMC | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 34 families. | |||||
1 | 5WJD | - | CIT | C6 H8 O7 | C(C(=O)O)C.... |
2 | 5WJE | ic50 = 0.38 uM | ASP ASP ASP ILE NH2 CMC | n/a | n/a |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | ASP ASP ASP ILE NH2 CMC | 1 | 1 |
2 | ACE SER ASP ALY THR NH2 COA | 0.77193 | 0.977273 |
3 | MET VAL ASN ALA CMC | 0.72 | 0.955056 |
4 | BUA COA | 0.703226 | 0.965909 |
5 | HMG | 0.698113 | 0.965909 |
6 | COA FLC | 0.686667 | 0.965517 |
7 | 6NA COA | 0.68125 | 0.944444 |
8 | EO3 COA | 0.668712 | 0.944444 |
9 | X90 COA | 0.668712 | 0.944444 |
10 | DAO COA | 0.668712 | 0.944444 |
11 | DKA COA | 0.668712 | 0.944444 |
12 | MYR COA | 0.668712 | 0.944444 |
13 | DCR COA | 0.668712 | 0.944444 |
14 | PLM COA | 0.668712 | 0.944444 |
15 | ACE MET LEU GLY PRO NH2 COA | 0.661376 | 0.955056 |
16 | CMC | 0.611111 | 0.955056 |
17 | CCQ | 0.607143 | 0.913979 |
18 | SOP | 0.604938 | 0.933333 |
19 | COF | 0.60241 | 0.913043 |
20 | A1S | 0.584337 | 0.933333 |
21 | 01K | 0.58427 | 0.933333 |
22 | 2CP | 0.577381 | 0.944444 |
23 | 4CO | 0.575581 | 0.923077 |
24 | 0FQ | 0.575581 | 0.933333 |
25 | IVC | 0.57485 | 0.922222 |
26 | 3HC | 0.57485 | 0.922222 |
27 | UOQ | 0.574713 | 0.934066 |
28 | NHW | 0.574713 | 0.934066 |
29 | NHM | 0.574713 | 0.934066 |
30 | 1VU | 0.572289 | 0.923077 |
31 | 01A | 0.572254 | 0.893617 |
32 | NHQ | 0.567416 | 0.94382 |
33 | 3CP | 0.564706 | 0.955056 |
34 | HGG | 0.564706 | 0.933333 |
35 | COS | 0.564417 | 0.912088 |
36 | CAO | 0.564417 | 0.902174 |
37 | 30N | 0.564417 | 0.85567 |
38 | 4CA | 0.561404 | 0.923077 |
39 | FYN | 0.560241 | 0.932584 |
40 | CS8 | 0.56 | 0.923913 |
41 | SCA | 0.558824 | 0.933333 |
42 | MC4 | 0.558824 | 0.884211 |
43 | ACO | 0.557576 | 0.902174 |
44 | MLC | 0.556213 | 0.933333 |
45 | BCO | 0.556213 | 0.933333 |
46 | TGC | 0.554913 | 0.944444 |
47 | HFQ | 0.553672 | 0.913043 |
48 | CO6 | 0.553571 | 0.912088 |
49 | CAA | 0.552941 | 0.922222 |
50 | CIC | 0.551724 | 0.955056 |
51 | 3KK | 0.550898 | 0.912088 |
52 | OXK | 0.547619 | 0.933333 |
53 | COK | 0.547619 | 0.912088 |
54 | 1HE | 0.547059 | 0.913043 |
55 | KFV | 0.546512 | 0.857143 |
56 | COT | 0.546448 | 0.933333 |
57 | 0T1 | 0.546012 | 0.932584 |
58 | 0ET | 0.545455 | 0.934066 |
59 | NMX | 0.544379 | 0.864583 |
60 | COO | 0.54386 | 0.912088 |
61 | MCA | 0.54386 | 0.923077 |
62 | 5AD NJS | 0.543478 | 0.913979 |
63 | DCA | 0.54321 | 0.911111 |
64 | 93M | 0.541667 | 0.944444 |
65 | 2MC | 0.541176 | 0.873684 |
66 | YXS | 0.540698 | 0.83 |
67 | YXR | 0.540698 | 0.83 |
68 | GRA | 0.54023 | 0.933333 |
69 | HXC | 0.54023 | 0.913043 |
70 | MCD | 0.538462 | 0.912088 |
71 | BYC | 0.537572 | 0.912088 |
72 | IRC | 0.537572 | 0.922222 |
73 | 2KQ | 0.537572 | 0.913043 |
74 | COA | 0.536585 | 0.932584 |
75 | MRS | 0.536313 | 0.913043 |
76 | MRR | 0.536313 | 0.913043 |
77 | AMX | 0.536145 | 0.921348 |
78 | HAX | 0.535714 | 0.891304 |
79 | BCA | 0.534483 | 0.902174 |
80 | FAQ | 0.534483 | 0.912088 |
81 | CO8 | 0.534091 | 0.913043 |
82 | 1CZ | 0.534091 | 0.923077 |
83 | SCO | 0.532934 | 0.932584 |
84 | CMX | 0.532934 | 0.932584 |
85 | SCD | 0.532164 | 0.932584 |
86 | DCC | 0.531073 | 0.913043 |
87 | ST9 | 0.531073 | 0.913043 |
88 | MYA | 0.531073 | 0.913043 |
89 | 5F9 | 0.531073 | 0.913043 |
90 | MFK | 0.531073 | 0.913043 |
91 | UCC | 0.531073 | 0.913043 |
92 | HDC | 0.530726 | 0.913043 |
93 | FAM | 0.529762 | 0.891304 |
94 | 1GZ | 0.528736 | 0.902174 |
95 | COW | 0.528736 | 0.902174 |
96 | CA5 | 0.526316 | 0.893617 |
97 | 2NE | 0.525424 | 0.892473 |
98 | 1CV | 0.52514 | 0.933333 |
99 | ETB | 0.52439 | 0.858696 |
100 | FCX | 0.52071 | 0.902174 |
101 | KGP | 0.520468 | 0.83 |
102 | CA6 | 0.520468 | 0.848485 |
103 | YZS | 0.520468 | 0.83 |
104 | KGJ | 0.520231 | 0.85567 |
105 | WCA | 0.516667 | 0.892473 |
106 | DAK | 0.516484 | 0.903226 |
107 | CAJ | 0.514451 | 0.933333 |
108 | 4KX | 0.513812 | 0.882979 |
109 | 8Z2 | 0.513661 | 0.903226 |
110 | KGA | 0.511364 | 0.865979 |
111 | RMW | 0.510417 | 0.913043 |
112 | SO5 | 0.508571 | 0.84 |
113 | LCV | 0.508571 | 0.84 |
114 | YE1 | 0.508571 | 0.901099 |
115 | YNC | 0.508197 | 0.902174 |
116 | 93P | 0.507772 | 0.944444 |
117 | CA3 | 0.5 | 0.933333 |
118 | J5H | 0.5 | 0.912088 |
119 | 1HA | 0.494681 | 0.892473 |
120 | CA8 | 0.494382 | 0.83 |
121 | COD | 0.490909 | 0.943182 |
122 | F8G | 0.489474 | 0.875 |
123 | S0N | 0.483516 | 0.912088 |
124 | 7L1 | 0.479769 | 0.902174 |
125 | CO7 | 0.47486 | 0.912088 |
126 | UCA | 0.469697 | 0.892473 |
127 | BSJ | 0.451923 | 0.923913 |
128 | N9V | 0.451613 | 0.902174 |
129 | 5TW | 0.450237 | 0.85567 |
130 | 4BN | 0.450237 | 0.85567 |
131 | OXT | 0.447619 | 0.875 |
132 | JBT | 0.439815 | 0.857143 |
133 | UOC COA | 0.420455 | 0.764045 |
134 | ATP A | 0.411043 | 0.772727 |
135 | ATP A A A | 0.411043 | 0.772727 |
136 | MET LYS ALA VAL 1XE | 0.404545 | 0.923913 |
No: | Ligand | Similarity coefficient |
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