- 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 | 1XVV | - | CCQ | C28 H49 N8 O18 P3 S | CC(C)(CO[P.... |
2 | 1XVT | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
3 | 1XVU | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1XVV | - | CCQ | C28 H49 N8 O18 P3 S | CC(C)(CO[P.... |
2 | 1XVT | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
3 | 1XVU | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | CCQ | 1 | 1 |
2 | HGG | 0.784173 | 0.934783 |
3 | 3HC | 0.775362 | 0.945055 |
4 | IVC | 0.775362 | 0.945055 |
5 | 1VU | 0.773723 | 0.945652 |
6 | BCO | 0.76259 | 0.934783 |
7 | CAA | 0.757143 | 0.945055 |
8 | MLC | 0.75 | 0.934783 |
9 | 1HE | 0.75 | 0.956522 |
10 | ACO | 0.744526 | 0.945652 |
11 | HDC | 0.741497 | 0.935484 |
12 | SCA | 0.739437 | 0.934783 |
13 | HXC | 0.736111 | 0.935484 |
14 | 3KK | 0.733813 | 0.956044 |
15 | FYN | 0.733813 | 0.934066 |
16 | COS | 0.729927 | 0.913979 |
17 | CAO | 0.729927 | 0.904255 |
18 | FAQ | 0.729167 | 0.934783 |
19 | OXK | 0.728571 | 0.934783 |
20 | CO8 | 0.726027 | 0.935484 |
21 | GRA | 0.724138 | 0.934783 |
22 | CO6 | 0.723404 | 0.956044 |
23 | COW | 0.722222 | 0.924731 |
24 | DCC | 0.721088 | 0.935484 |
25 | MYA | 0.721088 | 0.935484 |
26 | 5F9 | 0.721088 | 0.935484 |
27 | ST9 | 0.721088 | 0.935484 |
28 | MFK | 0.721088 | 0.935484 |
29 | UCC | 0.721088 | 0.935484 |
30 | BUA COA | 0.72028 | 0.923913 |
31 | TGC | 0.719178 | 0.945652 |
32 | 2MC | 0.71831 | 0.915789 |
33 | SOP | 0.716312 | 0.956044 |
34 | MC4 | 0.715278 | 0.926316 |
35 | CS8 | 0.711409 | 0.946237 |
36 | KFV | 0.710345 | 0.897959 |
37 | COO | 0.708333 | 0.934783 |
38 | MCA | 0.708333 | 0.945652 |
39 | 0T1 | 0.708029 | 0.913043 |
40 | DCA | 0.705882 | 0.913043 |
41 | BCA | 0.705479 | 0.924731 |
42 | 30N | 0.705036 | 0.858586 |
43 | COK | 0.704225 | 0.913979 |
44 | YXS | 0.703448 | 0.87 |
45 | YXR | 0.703448 | 0.87 |
46 | CMC | 0.699301 | 0.934783 |
47 | BYC | 0.69863 | 0.934783 |
48 | 1GZ | 0.69863 | 0.945652 |
49 | IRC | 0.69863 | 0.945055 |
50 | 6NA COA | 0.695946 | 0.924731 |
51 | COA | 0.695652 | 0.934066 |
52 | FAM | 0.695035 | 0.893617 |
53 | 4CA | 0.693878 | 0.924731 |
54 | 2CP | 0.691781 | 0.945652 |
55 | 2NE | 0.691275 | 0.914894 |
56 | A1S | 0.689655 | 0.934783 |
57 | COF | 0.687075 | 0.914894 |
58 | 2KQ | 0.687075 | 0.935484 |
59 | YNC | 0.686275 | 0.924731 |
60 | X90 COA | 0.682119 | 0.924731 |
61 | PLM COA | 0.682119 | 0.924731 |
62 | EO3 COA | 0.682119 | 0.924731 |
63 | DCR COA | 0.682119 | 0.924731 |
64 | DAO COA | 0.682119 | 0.924731 |
65 | MYR COA | 0.682119 | 0.924731 |
66 | DKA COA | 0.682119 | 0.924731 |
67 | ETB | 0.681159 | 0.902174 |
68 | AMX | 0.680851 | 0.923077 |
69 | 1CZ | 0.68 | 0.924731 |
70 | HMG | 0.68 | 0.923913 |
71 | CMX | 0.676056 | 0.913043 |
72 | SCO | 0.676056 | 0.913043 |
73 | 3CP | 0.675676 | 0.934783 |
74 | FCX | 0.671329 | 0.884211 |
75 | CAJ | 0.671233 | 0.913979 |
76 | MRS | 0.668831 | 0.935484 |
77 | MRR | 0.668831 | 0.935484 |
78 | WCA | 0.666667 | 0.914894 |
79 | KGJ | 0.666667 | 0.877551 |
80 | HAX | 0.666667 | 0.893617 |
81 | J5H | 0.664516 | 0.934783 |
82 | 4CO | 0.664474 | 0.924731 |
83 | NMX | 0.664384 | 0.867347 |
84 | 4KX | 0.662338 | 0.905263 |
85 | 8Z2 | 0.660256 | 0.925532 |
86 | 0ET | 0.660131 | 0.935484 |
87 | 01A | 0.660131 | 0.895833 |
88 | SCD | 0.659864 | 0.913043 |
89 | CIC | 0.657895 | 0.934783 |
90 | MCD | 0.657534 | 0.913979 |
91 | YZS | 0.657534 | 0.87 |
92 | KGP | 0.657534 | 0.87 |
93 | CA6 | 0.657534 | 0.888889 |
94 | COA FLC | 0.65493 | 0.923077 |
95 | DAK | 0.653846 | 0.946237 |
96 | 0FQ | 0.653595 | 0.934783 |
97 | NHQ | 0.651899 | 0.945055 |
98 | UOQ | 0.651613 | 0.935484 |
99 | NHM | 0.651613 | 0.935484 |
100 | NHW | 0.651613 | 0.935484 |
101 | 1CV | 0.645161 | 0.934783 |
102 | KGA | 0.642384 | 0.868687 |
103 | YE1 | 0.64 | 0.903226 |
104 | SO5 | 0.64 | 0.861386 |
105 | LCV | 0.64 | 0.861386 |
106 | 01K | 0.639752 | 0.956044 |
107 | HFQ | 0.636943 | 0.914894 |
108 | UCA | 0.634731 | 0.935484 |
109 | 1HA | 0.63354 | 0.914894 |
110 | CA8 | 0.631579 | 0.851485 |
111 | S0N | 0.625806 | 0.893617 |
112 | COT | 0.625767 | 0.934783 |
113 | F8G | 0.625767 | 0.896907 |
114 | 7L1 | 0.608108 | 0.945652 |
115 | ASP ASP ASP ILE NH2 CMC | 0.607143 | 0.913979 |
116 | CA5 | 0.6 | 0.895833 |
117 | RMW | 0.6 | 0.956522 |
118 | CA3 | 0.598802 | 0.934783 |
119 | CO7 | 0.587097 | 0.934783 |
120 | 93M | 0.579545 | 0.924731 |
121 | 93P | 0.578035 | 0.924731 |
122 | N9V | 0.575 | 0.884211 |
123 | 5TW | 0.565217 | 0.896907 |
124 | 4BN | 0.565217 | 0.896907 |
125 | COD | 0.561644 | 0.923077 |
126 | MET VAL ASN ALA CMC | 0.554945 | 0.934783 |
127 | ACE SER ASP ALY THR NH2 COA | 0.548913 | 0.934783 |
128 | JBT | 0.542105 | 0.878788 |
129 | OXT | 0.537634 | 0.916667 |
130 | PAP | 0.53125 | 0.758242 |
131 | ACE MET LEU GLY PRO NH2 COA | 0.510204 | 0.934783 |
132 | 5AD NJS | 0.502825 | 0.895833 |
133 | BSJ | 0.502645 | 0.905263 |
134 | PPS | 0.485075 | 0.707071 |
135 | A3P | 0.472868 | 0.747253 |
136 | 0WD | 0.461538 | 0.739583 |
137 | SFC | 0.441341 | 0.956522 |
138 | RFC | 0.441341 | 0.956522 |
139 | PUA | 0.420732 | 0.768421 |
140 | 3AM | 0.415385 | 0.736264 |
141 | ATP A A A | 0.413333 | 0.73913 |
142 | ATP A | 0.413333 | 0.73913 |
143 | PTJ | 0.412162 | 0.815217 |
144 | PAX | 0.410714 | 0.762887 |
145 | 9BG | 0.401235 | 0.739583 |
146 | ATR | 0.4 | 0.747253 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 1xvv.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1xvv.bio1) has 40 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |