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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 7 families. | |||||
1 | 5NJI | - | 8Z2 | C33 H56 N7 O17 P3 S | CCCCCCCCC/.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 5NJI | - | 8Z2 | C33 H56 N7 O17 P3 S | CCCCCCCCC/.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 8Z2 | 1 | 1 |
2 | COO | 0.833333 | 0.966667 |
3 | 1GZ | 0.821429 | 0.956044 |
4 | 5F9 | 0.818182 | 0.988889 |
5 | MFK | 0.818182 | 0.988889 |
6 | ST9 | 0.818182 | 0.988889 |
7 | MYA | 0.818182 | 0.988889 |
8 | UCC | 0.818182 | 0.988889 |
9 | DCC | 0.818182 | 0.988889 |
10 | CO8 | 0.811189 | 0.988889 |
11 | MRS | 0.795918 | 0.988889 |
12 | MRR | 0.795918 | 0.988889 |
13 | HDC | 0.789116 | 0.988889 |
14 | 0ET | 0.787671 | 0.967033 |
15 | BCO | 0.787234 | 0.966667 |
16 | 1VU | 0.785714 | 0.977778 |
17 | HXC | 0.784722 | 0.988889 |
18 | ACO | 0.782609 | 0.977778 |
19 | NHW | 0.777027 | 0.967033 |
20 | NHM | 0.777027 | 0.967033 |
21 | UOQ | 0.777027 | 0.967033 |
22 | 3KK | 0.771429 | 0.966667 |
23 | WCA | 0.77027 | 0.945652 |
24 | CAO | 0.768116 | 0.913979 |
25 | COS | 0.768116 | 0.923913 |
26 | OXK | 0.765957 | 0.945055 |
27 | 3HC | 0.762238 | 0.955556 |
28 | IVC | 0.762238 | 0.955556 |
29 | CO6 | 0.760563 | 0.966667 |
30 | 0T1 | 0.759124 | 0.944444 |
31 | FYN | 0.758865 | 0.944444 |
32 | CS8 | 0.758389 | 0.978022 |
33 | 2MC | 0.755245 | 0.946237 |
34 | DAK | 0.754967 | 0.935484 |
35 | MLC | 0.75 | 0.945055 |
36 | 1HE | 0.75 | 0.945652 |
37 | HGG | 0.746575 | 0.945055 |
38 | COW | 0.746575 | 0.934783 |
39 | KFV | 0.746575 | 0.887755 |
40 | MCA | 0.744828 | 0.956044 |
41 | CAA | 0.744828 | 0.955556 |
42 | DCA | 0.744526 | 0.944444 |
43 | COK | 0.741259 | 0.923913 |
44 | SOP | 0.741259 | 0.945055 |
45 | SCA | 0.739726 | 0.945055 |
46 | MC4 | 0.739726 | 0.93617 |
47 | YXS | 0.739726 | 0.878788 |
48 | YXR | 0.739726 | 0.878788 |
49 | GRA | 0.736486 | 0.945055 |
50 | CMC | 0.736111 | 0.923913 |
51 | 3CP | 0.734694 | 0.923913 |
52 | IRC | 0.734694 | 0.955556 |
53 | BYC | 0.734694 | 0.945055 |
54 | COA | 0.733813 | 0.944444 |
55 | AMX | 0.730496 | 0.933333 |
56 | 30N | 0.730496 | 0.867347 |
57 | FAQ | 0.72973 | 0.945055 |
58 | BCA | 0.72973 | 0.934783 |
59 | HAX | 0.727273 | 0.903226 |
60 | A1S | 0.726027 | 0.945055 |
61 | CMX | 0.725352 | 0.923077 |
62 | NMX | 0.724138 | 0.857143 |
63 | YNC | 0.720779 | 0.956044 |
64 | FAM | 0.72028 | 0.903226 |
65 | TGC | 0.72 | 0.934783 |
66 | ETB | 0.719424 | 0.912088 |
67 | 2CP | 0.716216 | 0.934783 |
68 | 2NE | 0.715232 | 0.924731 |
69 | 1CZ | 0.715232 | 0.934783 |
70 | SCO | 0.713287 | 0.923077 |
71 | 2KQ | 0.711409 | 0.967033 |
72 | COF | 0.711409 | 0.904255 |
73 | CO7 | 0.709459 | 0.966667 |
74 | FCX | 0.708333 | 0.893617 |
75 | CAJ | 0.707483 | 0.945055 |
76 | SCD | 0.707483 | 0.923077 |
77 | 4CA | 0.706667 | 0.913979 |
78 | CA6 | 0.705479 | 0.878788 |
79 | MCD | 0.705479 | 0.945055 |
80 | 4KX | 0.696774 | 0.935484 |
81 | KGP | 0.693878 | 0.878788 |
82 | YZS | 0.693878 | 0.878788 |
83 | CIC | 0.69281 | 0.923913 |
84 | KGJ | 0.691275 | 0.867347 |
85 | KGA | 0.688742 | 0.858586 |
86 | 4CO | 0.688312 | 0.913979 |
87 | 0FQ | 0.688312 | 0.923913 |
88 | J5H | 0.687898 | 0.945055 |
89 | 01A | 0.683871 | 0.885417 |
90 | HFQ | 0.681529 | 0.904255 |
91 | 1CV | 0.679487 | 0.945055 |
92 | CA8 | 0.677632 | 0.86 |
93 | 1HA | 0.677019 | 0.924731 |
94 | SO5 | 0.675497 | 0.87 |
95 | YE1 | 0.675497 | 0.913043 |
96 | LCV | 0.675497 | 0.87 |
97 | NHQ | 0.675 | 0.934066 |
98 | F8G | 0.668712 | 0.946809 |
99 | S0N | 0.660256 | 0.903226 |
100 | CCQ | 0.660256 | 0.925532 |
101 | UCA | 0.656805 | 0.967033 |
102 | 7L1 | 0.655405 | 0.977778 |
103 | 01K | 0.652439 | 0.945055 |
104 | MYR COA | 0.641509 | 0.956044 |
105 | DAO COA | 0.641509 | 0.956044 |
106 | DKA COA | 0.641509 | 0.956044 |
107 | EO3 COA | 0.641509 | 0.956044 |
108 | DCR COA | 0.641509 | 0.956044 |
109 | PLM COA | 0.641509 | 0.956044 |
110 | X90 COA | 0.641509 | 0.956044 |
111 | CA3 | 0.640719 | 0.923913 |
112 | COT | 0.638554 | 0.923913 |
113 | N9V | 0.628931 | 0.934783 |
114 | 93P | 0.627907 | 0.913979 |
115 | RMW | 0.622093 | 0.924731 |
116 | CA5 | 0.612717 | 0.885417 |
117 | 6NA COA | 0.6125 | 0.956044 |
118 | BUA COA | 0.611465 | 0.934066 |
119 | 93M | 0.610169 | 0.913979 |
120 | COD | 0.598639 | 0.933333 |
121 | 5TW | 0.594595 | 0.946809 |
122 | 4BN | 0.594595 | 0.946809 |
123 | OXT | 0.566845 | 0.926316 |
124 | COA FLC | 0.56129 | 0.912088 |
125 | HMG | 0.560241 | 0.913043 |
126 | JBT | 0.554404 | 0.907216 |
127 | BSJ | 0.547872 | 0.894737 |
128 | ASP ASP ASP ILE NH2 CMC | 0.513661 | 0.903226 |
129 | PAP | 0.492647 | 0.766667 |
130 | SFC | 0.480447 | 0.945652 |
131 | RFC | 0.480447 | 0.945652 |
132 | ACE SER ASP ALY THR NH2 COA | 0.467337 | 0.903226 |
133 | PPS | 0.460993 | 0.714286 |
134 | 5AD NJS | 0.459893 | 0.905263 |
135 | MET VAL ASN ALA CMC | 0.457286 | 0.903226 |
136 | 0WD | 0.450617 | 0.765957 |
137 | A3P | 0.448529 | 0.755556 |
138 | MDE | 0.443299 | 0.989011 |
139 | 1ZZ | 0.430464 | 0.857143 |
140 | ACE MET LEU GLY PRO NH2 COA | 0.429245 | 0.903226 |
141 | OMR | 0.425 | 0.868132 |
142 | 9BG | 0.418182 | 0.747368 |
143 | PTJ | 0.411765 | 0.824176 |
144 | PUA | 0.411765 | 0.795699 |
145 | 3AM | 0.404412 | 0.744444 |
146 | A22 | 0.4 | 0.769231 |
No: | Ligand | Similarity coefficient |
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This union binding pocket(no: 1) in the query (biounit: 5nji.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |