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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 2 families. | |||||
1 | 4GAH | Ki = 0.8 uM | 0ET | C32 H58 N7 O17 P3 S | CCCCCCCCC[.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 4GAH | Ki = 0.8 uM | 0ET | C32 H58 N7 O17 P3 S | CCCCCCCCC[.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 0ET | 1 | 1 |
2 | HDC | 0.856115 | 0.977778 |
3 | UOQ | 0.842857 | 1 |
4 | NHW | 0.842857 | 1 |
5 | NHM | 0.842857 | 1 |
6 | MRS | 0.836879 | 0.977778 |
7 | MRR | 0.836879 | 0.977778 |
8 | DCC | 0.821429 | 0.977778 |
9 | MFK | 0.821429 | 0.977778 |
10 | 5F9 | 0.821429 | 0.977778 |
11 | MYA | 0.821429 | 0.977778 |
12 | ST9 | 0.821429 | 0.977778 |
13 | UCC | 0.821429 | 0.977778 |
14 | 2CP | 0.817518 | 0.966667 |
15 | CO8 | 0.814286 | 0.977778 |
16 | SOP | 0.807407 | 0.977528 |
17 | A1S | 0.80292 | 0.977528 |
18 | CMC | 0.801471 | 0.955556 |
19 | COS | 0.796992 | 0.934066 |
20 | CAO | 0.796992 | 0.923913 |
21 | 0T1 | 0.787879 | 0.955056 |
22 | 8Z2 | 0.787671 | 0.967033 |
23 | HXC | 0.787234 | 0.977778 |
24 | FYN | 0.786765 | 0.955056 |
25 | 3CP | 0.785714 | 0.955556 |
26 | ACO | 0.785185 | 0.966667 |
27 | 4CA | 0.780142 | 0.945055 |
28 | BCO | 0.776978 | 0.955556 |
29 | 1VU | 0.775362 | 0.966667 |
30 | 3KK | 0.773723 | 0.955556 |
31 | COF | 0.77305 | 0.934783 |
32 | DCA | 0.772727 | 0.955056 |
33 | CS8 | 0.772414 | 0.988889 |
34 | COK | 0.768116 | 0.934066 |
35 | OXK | 0.768116 | 0.934066 |
36 | 3HC | 0.764286 | 0.944444 |
37 | IVC | 0.764286 | 0.944444 |
38 | CIC | 0.763889 | 0.955556 |
39 | CO6 | 0.76259 | 0.955556 |
40 | COA | 0.761194 | 0.955056 |
41 | 30N | 0.757353 | 0.876289 |
42 | AMX | 0.757353 | 0.94382 |
43 | 2MC | 0.757143 | 0.914894 |
44 | CMX | 0.751825 | 0.933333 |
45 | MLC | 0.751773 | 0.934066 |
46 | 1HE | 0.751773 | 0.956044 |
47 | HGG | 0.748252 | 0.934066 |
48 | 0FQ | 0.746575 | 0.955556 |
49 | 4CO | 0.746575 | 0.945055 |
50 | COO | 0.746479 | 0.934066 |
51 | MCA | 0.746479 | 0.945055 |
52 | CAA | 0.746479 | 0.944444 |
53 | FCX | 0.746377 | 0.903226 |
54 | FAM | 0.746377 | 0.913043 |
55 | ETB | 0.746269 | 0.922222 |
56 | MCD | 0.742857 | 0.955556 |
57 | 01A | 0.741497 | 0.914894 |
58 | YXS | 0.741259 | 0.868687 |
59 | YXR | 0.741259 | 0.868687 |
60 | MC4 | 0.741259 | 0.905263 |
61 | SCA | 0.741259 | 0.934066 |
62 | HAX | 0.741007 | 0.913043 |
63 | SCO | 0.73913 | 0.933333 |
64 | HFQ | 0.738255 | 0.934783 |
65 | GRA | 0.737931 | 0.934066 |
66 | NMX | 0.737589 | 0.865979 |
67 | IRC | 0.736111 | 0.944444 |
68 | KFV | 0.736111 | 0.877551 |
69 | BYC | 0.736111 | 0.934066 |
70 | COW | 0.736111 | 0.923913 |
71 | 1GZ | 0.736111 | 0.923913 |
72 | 2KQ | 0.736111 | 0.956044 |
73 | TGC | 0.732877 | 0.945055 |
74 | SCD | 0.732394 | 0.933333 |
75 | CAJ | 0.732394 | 0.955556 |
76 | BCA | 0.731034 | 0.923913 |
77 | FAQ | 0.731034 | 0.934066 |
78 | YZS | 0.730496 | 0.868687 |
79 | KGP | 0.730496 | 0.868687 |
80 | CA6 | 0.730496 | 0.907216 |
81 | NHQ | 0.730263 | 0.966292 |
82 | 01K | 0.727273 | 0.977528 |
83 | YNC | 0.721854 | 0.923913 |
84 | 1CZ | 0.716216 | 0.923913 |
85 | 2NE | 0.716216 | 0.913979 |
86 | KGA | 0.712329 | 0.867347 |
87 | KGJ | 0.703448 | 0.876289 |
88 | WCA | 0.701987 | 0.913979 |
89 | 1CV | 0.701987 | 0.934066 |
90 | CA8 | 0.70068 | 0.85 |
91 | J5H | 0.699346 | 0.934066 |
92 | SO5 | 0.69863 | 0.86 |
93 | YE1 | 0.69863 | 0.923077 |
94 | LCV | 0.69863 | 0.86 |
95 | 93P | 0.697531 | 0.945055 |
96 | 4KX | 0.697368 | 0.904255 |
97 | CA3 | 0.691824 | 0.955556 |
98 | COT | 0.689873 | 0.955556 |
99 | DAK | 0.688312 | 0.924731 |
100 | S0N | 0.682119 | 0.913043 |
101 | 1HA | 0.677215 | 0.913979 |
102 | 93M | 0.676647 | 0.945055 |
103 | F8G | 0.66875 | 0.915789 |
104 | CA5 | 0.660606 | 0.914894 |
105 | CCQ | 0.660131 | 0.935484 |
106 | 7L1 | 0.655172 | 0.966667 |
107 | RMW | 0.650602 | 0.913979 |
108 | UCA | 0.646707 | 0.956044 |
109 | CO7 | 0.631579 | 0.934066 |
110 | MYR COA | 0.630573 | 0.945055 |
111 | PLM COA | 0.630573 | 0.945055 |
112 | DKA COA | 0.630573 | 0.945055 |
113 | X90 COA | 0.630573 | 0.945055 |
114 | EO3 COA | 0.630573 | 0.945055 |
115 | DAO COA | 0.630573 | 0.945055 |
116 | DCR COA | 0.630573 | 0.945055 |
117 | N9V | 0.628205 | 0.903226 |
118 | COD | 0.619718 | 0.94382 |
119 | 6NA COA | 0.601266 | 0.945055 |
120 | 4BN | 0.593407 | 0.915789 |
121 | 5TW | 0.593407 | 0.915789 |
122 | OXT | 0.59116 | 0.915789 |
123 | BUA COA | 0.589744 | 0.923077 |
124 | COA FLC | 0.569536 | 0.922222 |
125 | JBT | 0.569149 | 0.896907 |
126 | BSJ | 0.562842 | 0.924731 |
127 | HMG | 0.548781 | 0.902174 |
128 | ASP ASP ASP ILE NH2 CMC | 0.545455 | 0.934066 |
129 | PAP | 0.51145 | 0.775281 |
130 | ACE SER ASP ALY THR NH2 COA | 0.510526 | 0.934066 |
131 | MET VAL ASN ALA CMC | 0.492147 | 0.934066 |
132 | SFC | 0.485714 | 0.934783 |
133 | RFC | 0.485714 | 0.934783 |
134 | PPS | 0.467153 | 0.721649 |
135 | A3P | 0.465649 | 0.764045 |
136 | 0WD | 0.464968 | 0.755319 |
137 | ACE MET LEU GLY PRO NH2 COA | 0.460784 | 0.934066 |
138 | 5AD NJS | 0.456522 | 0.875 |
139 | 1ZZ | 0.455172 | 0.866667 |
140 | S2N | 0.440559 | 0.67033 |
141 | OMR | 0.43871 | 0.877778 |
142 | PUA | 0.424242 | 0.784946 |
143 | 3AM | 0.419847 | 0.752809 |
144 | YLB | 0.417722 | 0.888889 |
145 | PTJ | 0.416107 | 0.833333 |
146 | UBG | 0.414365 | 0.808511 |
147 | A22 | 0.413793 | 0.777778 |
148 | 9BG | 0.41358 | 0.755319 |
149 | MYR AMP | 0.413333 | 0.846154 |
150 | 5SV | 0.410959 | 0.853933 |
151 | MDE | 0.410256 | 0.956522 |
152 | YLP | 0.407643 | 0.888889 |
153 | ATR | 0.404255 | 0.764045 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 4gah.bio1) has 9 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4gah.bio1) has 23 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
1 | 3BJK | CIT | None |
This union binding pocket(no: 3) in the query (biounit: 4gah.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |