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- Structure Biounit | Ligand Information
- PDB : .ZIP | .CSV
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- Class : .ZIP | .CSV
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 266 families. | |||||
1 | 4W97 | Kd = 0.08 uM | UCA | C34 H52 N7 O19 P3 S | C[C@]12CCC.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 220 families. | |||||
1 | 4W97 | Kd = 0.08 uM | UCA | C34 H52 N7 O19 P3 S | C[C@]12CCC.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | UCA | 1 | 1 |
2 | BCO | 0.738562 | 0.955556 |
3 | 1HE | 0.738562 | 0.956044 |
4 | SCA | 0.729032 | 0.955556 |
5 | MLC | 0.727273 | 0.955556 |
6 | 1VU | 0.72549 | 0.966667 |
7 | CAA | 0.722581 | 0.966292 |
8 | ACO | 0.721854 | 0.988764 |
9 | IVC | 0.716129 | 0.966292 |
10 | 3HC | 0.716129 | 0.966292 |
11 | GRA | 0.71519 | 0.955556 |
12 | HXC | 0.71519 | 0.977778 |
13 | CO6 | 0.714286 | 0.977528 |
14 | MYA | 0.7125 | 0.977778 |
15 | DCC | 0.7125 | 0.977778 |
16 | ST9 | 0.7125 | 0.977778 |
17 | UCC | 0.7125 | 0.977778 |
18 | 5F9 | 0.7125 | 0.977778 |
19 | MFK | 0.7125 | 0.977778 |
20 | CO8 | 0.70625 | 0.977778 |
21 | HGG | 0.702532 | 0.955556 |
22 | 3KK | 0.701299 | 0.977528 |
23 | YNC | 0.701219 | 0.945055 |
24 | FAQ | 0.698113 | 0.977528 |
25 | COS | 0.697368 | 0.934066 |
26 | CAO | 0.697368 | 0.923913 |
27 | OXK | 0.696774 | 0.955556 |
28 | 1GZ | 0.691824 | 0.945055 |
29 | COO | 0.689873 | 0.955556 |
30 | MCA | 0.689873 | 0.966667 |
31 | TGC | 0.689441 | 0.945055 |
32 | 2MC | 0.687898 | 0.935484 |
33 | YXR | 0.685535 | 0.887755 |
34 | YXS | 0.685535 | 0.887755 |
35 | CMC | 0.681529 | 0.934066 |
36 | IRC | 0.68125 | 0.966292 |
37 | FYN | 0.679487 | 0.955056 |
38 | HDC | 0.678788 | 0.977778 |
39 | SOP | 0.675159 | 0.955556 |
40 | COK | 0.675159 | 0.934066 |
41 | MC4 | 0.675 | 0.925532 |
42 | A1S | 0.672956 | 0.955556 |
43 | CS8 | 0.672727 | 0.967033 |
44 | KFV | 0.670807 | 0.896907 |
45 | COW | 0.670807 | 0.966667 |
46 | BYC | 0.670807 | 0.977528 |
47 | 4KX | 0.668675 | 0.945652 |
48 | COA | 0.666667 | 0.955056 |
49 | 0T1 | 0.666667 | 0.933333 |
50 | BCA | 0.666667 | 0.966667 |
51 | MRR | 0.664671 | 0.977778 |
52 | MRS | 0.664671 | 0.977778 |
53 | 1CZ | 0.664634 | 0.945055 |
54 | 2CP | 0.664596 | 0.945055 |
55 | 30N | 0.664516 | 0.876289 |
56 | DCA | 0.664474 | 0.933333 |
57 | F8G | 0.662791 | 0.956989 |
58 | WCA | 0.662651 | 0.956044 |
59 | 3CP | 0.660494 | 0.934066 |
60 | COF | 0.660494 | 0.913979 |
61 | 8Z2 | 0.656805 | 0.967033 |
62 | FAM | 0.656051 | 0.913043 |
63 | FCX | 0.656051 | 0.903226 |
64 | 2NE | 0.654545 | 0.956044 |
65 | AMX | 0.653846 | 0.94382 |
66 | ETB | 0.653595 | 0.922222 |
67 | 4BN | 0.652406 | 0.956989 |
68 | 5TW | 0.652406 | 0.956989 |
69 | DAK | 0.650888 | 0.945652 |
70 | 2KQ | 0.650307 | 0.977778 |
71 | SCO | 0.649682 | 0.933333 |
72 | CMX | 0.649682 | 0.933333 |
73 | 0ET | 0.646707 | 0.956044 |
74 | 4CA | 0.646341 | 0.945055 |
75 | SCD | 0.645963 | 0.933333 |
76 | HAX | 0.641509 | 0.913043 |
77 | CAJ | 0.635802 | 0.934066 |
78 | CIC | 0.634731 | 0.934066 |
79 | CCQ | 0.634731 | 0.935484 |
80 | KGP | 0.63354 | 0.887755 |
81 | CA6 | 0.63354 | 0.887755 |
82 | MCD | 0.63354 | 0.955556 |
83 | YZS | 0.63354 | 0.887755 |
84 | 1CV | 0.633136 | 0.955556 |
85 | J5H | 0.631579 | 0.977528 |
86 | 4CO | 0.630952 | 0.945055 |
87 | 0FQ | 0.630952 | 0.955556 |
88 | NHQ | 0.630058 | 0.944444 |
89 | NMX | 0.62963 | 0.865979 |
90 | NHM | 0.629412 | 0.956044 |
91 | UOQ | 0.629412 | 0.956044 |
92 | NHW | 0.629412 | 0.956044 |
93 | 01K | 0.628571 | 0.955556 |
94 | LCV | 0.628049 | 0.878788 |
95 | SO5 | 0.628049 | 0.878788 |
96 | 01A | 0.627219 | 0.914894 |
97 | 1HA | 0.622857 | 0.956044 |
98 | KGJ | 0.621951 | 0.876289 |
99 | YE1 | 0.618182 | 0.944444 |
100 | HFQ | 0.616279 | 0.934783 |
101 | KGA | 0.610778 | 0.867347 |
102 | CA8 | 0.610778 | 0.887755 |
103 | S0N | 0.605882 | 0.934066 |
104 | 7L1 | 0.598765 | 0.988764 |
105 | COT | 0.597765 | 0.955556 |
106 | CA3 | 0.582418 | 0.955556 |
107 | CO7 | 0.579882 | 0.955556 |
108 | CA5 | 0.575269 | 0.914894 |
109 | RMW | 0.575269 | 0.956044 |
110 | 93M | 0.573684 | 0.945055 |
111 | 93P | 0.572192 | 0.945055 |
112 | BUA COA | 0.570588 | 0.923077 |
113 | N9V | 0.568965 | 0.903226 |
114 | JBT | 0.554455 | 0.936842 |
115 | 6NA COA | 0.554286 | 0.945055 |
116 | PLM COA | 0.553672 | 0.945055 |
117 | X90 COA | 0.553672 | 0.945055 |
118 | MYR COA | 0.553672 | 0.945055 |
119 | EO3 COA | 0.553672 | 0.945055 |
120 | DCR COA | 0.553672 | 0.945055 |
121 | DKA COA | 0.553672 | 0.945055 |
122 | DAO COA | 0.553672 | 0.945055 |
123 | COD | 0.546584 | 0.94382 |
124 | OXT | 0.535 | 0.956989 |
125 | HMG | 0.533708 | 0.923077 |
126 | BSJ | 0.517413 | 0.924731 |
127 | COA FLC | 0.505882 | 0.922222 |
128 | ASP ASP ASP ILE NH2 CMC | 0.469697 | 0.892473 |
129 | MET VAL ASN ALA CMC | 0.461538 | 0.913043 |
130 | ACE SER ASP ALY THR NH2 COA | 0.457143 | 0.913043 |
131 | SFC | 0.453125 | 0.977778 |
132 | RFC | 0.453125 | 0.977778 |
133 | PAP | 0.446667 | 0.775281 |
134 | 0WD | 0.439306 | 0.774194 |
135 | ACE MET LEU GLY PRO NH2 COA | 0.434389 | 0.913043 |
136 | PPS | 0.428571 | 0.721649 |
137 | 5AD NJS | 0.427861 | 0.914894 |
138 | A3P | 0.406667 | 0.764045 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4w97.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4w97.bio1) has 26 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |