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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 2 families. | |||||
1 | 1KGT | - | SCA | C25 H40 N7 O19 P3 S | CC(C)(CO[P.... |
2 | 3TDT | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
3 | 1KGQ | - | SCO | C25 H41 N8 O19 P3 | CC(C)(CO[P.... |
4 | 2TDT | - | NPI | C7 H13 N O4 | C(CCC(=O)O.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 1KGT | - | SCA | C25 H40 N7 O19 P3 S | CC(C)(CO[P.... |
2 | 3TDT | - | COA | C21 H36 N7 O16 P3 S | CC(C)(CO[P.... |
3 | 1KGQ | - | SCO | C25 H41 N8 O19 P3 | CC(C)(CO[P.... |
4 | 2TDT | - | NPI | C7 H13 N O4 | C(CCC(=O)O.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | NPI | 1 | 1 |
2 | 11C | 0.677419 | 0.961538 |
3 | UN1 | 0.677419 | 0.961538 |
4 | DLY | 0.575758 | 0.733333 |
5 | API | 0.566667 | 0.888889 |
6 | DHH | 0.558824 | 0.925926 |
7 | LYS | 0.558824 | 0.709677 |
8 | DGL | 0.53125 | 0.923077 |
9 | GGL | 0.53125 | 0.923077 |
10 | GLU | 0.53125 | 0.923077 |
11 | ORN | 0.515152 | 0.7 |
12 | ABH | 0.513514 | 0.625 |
13 | REZ | 0.511628 | 0.787879 |
14 | 6HN | 0.5 | 0.619048 |
15 | NLE | 0.5 | 0.7 |
16 | CBH | 0.5 | 0.83871 |
17 | SHR | 0.488889 | 0.83871 |
18 | 26P | 0.486486 | 0.862069 |
19 | PML | 0.482759 | 0.666667 |
20 | 0L1 | 0.464286 | 0.692308 |
21 | ALY | 0.463415 | 0.666667 |
22 | 2NP | 0.461538 | 0.78125 |
23 | 5OY | 0.459459 | 0.657895 |
24 | ONH | 0.459459 | 0.621622 |
25 | 2JJ | 0.459459 | 0.657895 |
26 | EXY | 0.452381 | 0.685714 |
27 | DNN | 0.45 | 0.6875 |
28 | 6CL | 0.447368 | 0.857143 |
29 | DGN | 0.441176 | 0.766667 |
30 | GLN | 0.441176 | 0.766667 |
31 | DAB | 0.4375 | 0.625 |
32 | HSE | 0.4375 | 0.709677 |
33 | CIR | 0.435897 | 0.621622 |
34 | KAP | 0.435897 | 0.741935 |
35 | DSD | 0.431818 | 0.657895 |
36 | NVA | 0.424242 | 0.689655 |
37 | HCS | 0.424242 | 0.666667 |
38 | AZ1 | 0.419355 | 0.642857 |
39 | 3O3 | 0.418605 | 0.787879 |
40 | ONL | 0.416667 | 0.766667 |
41 | IKT | 0.409091 | 0.766667 |
42 | DAS | 0.40625 | 0.785714 |
43 | ASP | 0.40625 | 0.785714 |
44 | 5CT | 0.404255 | 0.666667 |
45 | ACA | 0.4 | 0.666667 |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | SCO | 1 | 1 |
2 | CMX | 0.882353 | 1 |
3 | COA | 0.864407 | 0.976744 |
4 | 0T1 | 0.864407 | 0.976744 |
5 | DCA | 0.863248 | 0.954023 |
6 | SCD | 0.854839 | 1 |
7 | ETB | 0.847458 | 0.920455 |
8 | FCX | 0.844262 | 0.965909 |
9 | COS | 0.842975 | 0.954545 |
10 | CAO | 0.842975 | 0.94382 |
11 | AMX | 0.842975 | 0.988235 |
12 | 30N | 0.842975 | 0.893617 |
13 | KGP | 0.83871 | 0.865979 |
14 | YZS | 0.83871 | 0.865979 |
15 | SCA | 0.834646 | 0.977012 |
16 | MLC | 0.833333 | 0.977012 |
17 | CMC | 0.832 | 0.977012 |
18 | FAM | 0.829268 | 0.954545 |
19 | ACO | 0.829268 | 0.94382 |
20 | 3CP | 0.828125 | 0.977012 |
21 | MCD | 0.824 | 0.977012 |
22 | CA6 | 0.824 | 0.865979 |
23 | OXK | 0.824 | 0.977012 |
24 | HAX | 0.822581 | 0.954545 |
25 | KGJ | 0.818898 | 0.893617 |
26 | S0N | 0.816794 | 0.977012 |
27 | 3KK | 0.816 | 0.954545 |
28 | FYN | 0.816 | 0.976744 |
29 | YE1 | 0.8125 | 0.965517 |
30 | COK | 0.809524 | 0.954545 |
31 | SOP | 0.809524 | 0.954545 |
32 | 2CP | 0.806202 | 0.965909 |
33 | CO6 | 0.80315 | 0.954545 |
34 | 1VU | 0.80315 | 0.94382 |
35 | NMX | 0.80315 | 0.903226 |
36 | GRA | 0.801527 | 0.977012 |
37 | HGG | 0.8 | 0.977012 |
38 | 2KQ | 0.8 | 0.955056 |
39 | MCA | 0.79845 | 0.965909 |
40 | 2MC | 0.796875 | 0.913043 |
41 | CAJ | 0.796875 | 0.977012 |
42 | BCA | 0.793893 | 0.94382 |
43 | YXS | 0.792308 | 0.865979 |
44 | YXR | 0.792308 | 0.865979 |
45 | BCO | 0.790698 | 0.954545 |
46 | IVC | 0.790698 | 0.965517 |
47 | 1HE | 0.790698 | 0.933333 |
48 | 3HC | 0.790698 | 0.965517 |
49 | A1S | 0.790698 | 0.954545 |
50 | BYC | 0.78626 | 0.954545 |
51 | COW | 0.78626 | 0.94382 |
52 | LCV | 0.784615 | 0.876289 |
53 | SO5 | 0.784615 | 0.876289 |
54 | COO | 0.784615 | 0.954545 |
55 | CAA | 0.784615 | 0.965517 |
56 | TGC | 0.781955 | 0.965909 |
57 | MC4 | 0.778626 | 0.903226 |
58 | CIC | 0.776119 | 0.977012 |
59 | 1CZ | 0.776119 | 0.965909 |
60 | IRC | 0.772727 | 0.965517 |
61 | CA8 | 0.772727 | 0.865979 |
62 | COF | 0.772727 | 0.933333 |
63 | KGA | 0.772727 | 0.904255 |
64 | 1GZ | 0.772727 | 0.94382 |
65 | KFV | 0.772727 | 0.875 |
66 | 4CA | 0.766917 | 0.94382 |
67 | FAQ | 0.766917 | 0.954545 |
68 | 2NE | 0.762963 | 0.933333 |
69 | HXC | 0.761194 | 0.933333 |
70 | 1CV | 0.759124 | 0.977012 |
71 | CO8 | 0.75 | 0.933333 |
72 | 5F9 | 0.744526 | 0.933333 |
73 | ST9 | 0.744526 | 0.933333 |
74 | MYA | 0.744526 | 0.933333 |
75 | 4CO | 0.744526 | 0.94382 |
76 | 0FQ | 0.744526 | 0.954545 |
77 | DCC | 0.744526 | 0.933333 |
78 | MFK | 0.744526 | 0.933333 |
79 | UCC | 0.744526 | 0.933333 |
80 | 4KX | 0.741007 | 0.923077 |
81 | 0ET | 0.73913 | 0.933333 |
82 | 01A | 0.73913 | 0.913043 |
83 | CS8 | 0.733813 | 0.923077 |
84 | WCA | 0.733813 | 0.933333 |
85 | J5H | 0.730496 | 0.954545 |
86 | UOQ | 0.728571 | 0.933333 |
87 | HDC | 0.728571 | 0.933333 |
88 | NHM | 0.728571 | 0.933333 |
89 | NHW | 0.728571 | 0.933333 |
90 | MRS | 0.723404 | 0.933333 |
91 | HFQ | 0.723404 | 0.933333 |
92 | MRR | 0.723404 | 0.933333 |
93 | YNC | 0.71831 | 0.94382 |
94 | DAK | 0.71831 | 0.923077 |
95 | 8Z2 | 0.713287 | 0.923077 |
96 | 1HA | 0.705479 | 0.933333 |
97 | NHQ | 0.703448 | 0.965517 |
98 | COD | 0.698413 | 0.965116 |
99 | F8G | 0.695946 | 0.913979 |
100 | 01K | 0.689189 | 0.954545 |
101 | COT | 0.684564 | 0.954545 |
102 | CCQ | 0.676056 | 0.913043 |
103 | CA3 | 0.675497 | 0.954545 |
104 | 7L1 | 0.671642 | 0.94382 |
105 | 93P | 0.660256 | 0.965909 |
106 | CA5 | 0.653846 | 0.913043 |
107 | UCA | 0.649682 | 0.933333 |
108 | CO7 | 0.64539 | 0.954545 |
109 | N9V | 0.641379 | 0.922222 |
110 | 93M | 0.639752 | 0.965909 |
111 | COA FLC | 0.637037 | 0.942529 |
112 | OXT | 0.6 | 0.893617 |
113 | 5TW | 0.593023 | 0.893617 |
114 | 4BN | 0.593023 | 0.893617 |
115 | BSJ | 0.588235 | 0.944444 |
116 | PAP | 0.582609 | 0.811765 |
117 | JBT | 0.576271 | 0.894737 |
118 | HMG | 0.565789 | 0.943182 |
119 | PLM COA | 0.558442 | 0.901099 |
120 | COA PLM | 0.558442 | 0.901099 |
121 | ASP ASP ASP ILE CMC NH2 | 0.532934 | 0.932584 |
122 | A3P | 0.530435 | 0.8 |
123 | PPS | 0.528926 | 0.734043 |
124 | 0WD | 0.507042 | 0.788889 |
125 | SFC | 0.487805 | 0.933333 |
126 | RFC | 0.487805 | 0.933333 |
127 | 191 | 0.487179 | 0.846939 |
128 | ACE SER ASP ALY THR NH2 COA | 0.472826 | 0.932584 |
129 | PTJ | 0.466165 | 0.894118 |
130 | 3AM | 0.465517 | 0.788235 |
131 | HQG | 0.457364 | 0.835294 |
132 | A22 | 0.453846 | 0.813953 |
133 | PUA | 0.450331 | 0.820225 |
134 | A2D | 0.45 | 0.802326 |
135 | PAJ | 0.44697 | 0.905882 |
136 | ATR | 0.444444 | 0.8 |
137 | 3OD | 0.444444 | 0.847059 |
138 | AGS | 0.444444 | 0.786517 |
139 | SAP | 0.444444 | 0.786517 |
140 | 9BG | 0.439189 | 0.788889 |
141 | ADP | 0.439024 | 0.823529 |
142 | J4G | 0.437037 | 0.870588 |
143 | 2A5 | 0.436508 | 0.847059 |
144 | A2R | 0.435115 | 0.835294 |
145 | 8LE | 0.434109 | 0.870588 |
146 | 48N | 0.433566 | 0.829545 |
147 | BA3 | 0.430894 | 0.802326 |
148 | NA7 | 0.42963 | 0.858824 |
149 | OAD | 0.42963 | 0.847059 |
150 | NJP | 0.42953 | 0.806818 |
151 | F2R | 0.42953 | 0.886364 |
152 | HEJ | 0.428571 | 0.823529 |
153 | ATP | 0.428571 | 0.823529 |
154 | B4P | 0.427419 | 0.802326 |
155 | AP5 | 0.427419 | 0.802326 |
156 | WAQ | 0.426471 | 0.882353 |
157 | APR | 0.425197 | 0.823529 |
158 | AQP | 0.425197 | 0.823529 |
159 | 5FA | 0.425197 | 0.823529 |
160 | AR6 | 0.425197 | 0.823529 |
161 | AN2 | 0.424 | 0.813953 |
162 | 8LQ | 0.421053 | 0.858824 |
163 | M33 | 0.420635 | 0.813953 |
164 | 9X8 | 0.419118 | 0.806818 |
165 | KG4 | 0.417323 | 0.825581 |
166 | SRP | 0.416667 | 0.858824 |
167 | ANP | 0.415385 | 0.804598 |
168 | YLB | 0.414966 | 0.930233 |
169 | ADQ | 0.414815 | 0.825581 |
170 | AMO | 0.414815 | 0.858824 |
171 | YLP | 0.413793 | 0.908046 |
172 | TXA | 0.413043 | 0.837209 |
173 | AT4 | 0.412698 | 0.795455 |
174 | 5AL | 0.412214 | 0.835294 |
175 | APU | 0.412162 | 0.786517 |
176 | PAX | 0.411392 | 0.793478 |
177 | 7D3 | 0.41129 | 0.793103 |
178 | AD9 | 0.410853 | 0.804598 |
179 | ODP | 0.410596 | 0.78022 |
180 | 25L | 0.410072 | 0.813953 |
181 | CA0 | 0.409449 | 0.825581 |
182 | 7D4 | 0.409449 | 0.793103 |
183 | ATF | 0.409091 | 0.795455 |
184 | A A A | 0.408759 | 0.813953 |
185 | A2P | 0.408 | 0.788235 |
186 | 8QN | 0.407407 | 0.835294 |
187 | NDP | 0.406667 | 0.788889 |
188 | ACP | 0.40625 | 0.825581 |
189 | 8LH | 0.406015 | 0.858824 |
190 | ACQ | 0.40458 | 0.825581 |
191 | A1R | 0.404412 | 0.882353 |
192 | ATP A A A | 0.404255 | 0.770115 |
193 | ATP A | 0.404255 | 0.770115 |
194 | 1ZZ | 0.402878 | 0.863636 |
195 | NB8 | 0.402878 | 0.829545 |
196 | BIS | 0.402878 | 0.818182 |
197 | FYA | 0.402878 | 0.813953 |
198 | AMP | 0.401639 | 0.8 |
199 | A | 0.401639 | 0.8 |
200 | 00A | 0.40146 | 0.777778 |
201 | AHX | 0.40146 | 0.829545 |
202 | DLL | 0.40146 | 0.813953 |
203 | XAH | 0.401408 | 0.863636 |
204 | DND | 0.401361 | 0.816092 |
205 | NXX | 0.401361 | 0.816092 |
206 | DQV | 0.4 | 0.813953 |
This union binding pocket(no: 1) in the query (biounit: 1kgq.bio1) has 47 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 1kgq.bio1) has 47 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 1kgq.bio1) has 47 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 4) in the query (biounit: 1kgq.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 5) in the query (biounit: 1kgq.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 6) in the query (biounit: 1kgq.bio1) has 48 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |