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- Structure Biounit | Ligand Information
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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 28 families. | |||||
1 | 4BUZ | - | OAD | C17 H25 N5 O15 P2 | CC(=O)O[C@.... |
2 | 3D4B | - | THR SER ARG HIS LYS ALY LEU MET ALA | n/a | n/a |
3 | 3D81 | - | SER ARG HIS LYS FZN LEU MET PHE | n/a | n/a |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 221 families. | |||||
1 | 4BUZ | - | OAD | C17 H25 N5 O15 P2 | CC(=O)O[C@.... |
2 | 3D4B | - | THR SER ARG HIS LYS ALY LEU MET ALA | n/a | n/a |
3 | 3D81 | - | SER ARG HIS LYS FZN LEU MET PHE | n/a | n/a |
4 | 1S5P | Kd = 0.44 uM | LYS GLY GLY ALA ALY ARG HIS ARG | n/a | n/a |
5 | 1M2K | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
6 | 1M2J | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
7 | 1M2G | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
8 | 1ICI | - | NAD | C21 H27 N7 O14 P2 | c1cc(c[n+].... |
9 | 1M2H | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
10 | 6EQS | - | BV8 | C47 H63 N11 O19 P2 S | CC(C)NC(=O.... |
11 | 2NYR | - | SVR | C51 H40 N6 O23 S6 | Cc1ccc(cc1.... |
12 | 4G1C | - | CNA | C22 H30 N7 O13 P2 | c1cc(c[n+].... |
13 | 6FLG | ic50 = 30.3 nM | GZB VAL LEU DQK GLU TYR GLY VAL | n/a | n/a |
14 | 6ENX | - | BJW | C48 H64 N10 O19 P2 S | CC(C)NC(=O.... |
15 | 6EO0 | - | BVT | C47 H63 N11 O19 P2 S | CC(C)NC(=O.... |
16 | 4UTV | Ki = 100 uM | BEZ GLY VAL LEU LYS GLU TYR GLY VAL FSL | n/a | n/a |
17 | 1S7G | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
18 | 1YC2 | - | APR | C15 H23 N5 O14 P2 | c1nc(c2c(n.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | DZD | 1 | 1 |
2 | APC | 0.577982 | 0.923077 |
3 | ADV | 0.572727 | 0.923077 |
4 | RBY | 0.572727 | 0.923077 |
5 | DQV | 0.564516 | 0.922078 |
6 | AP2 | 0.560748 | 0.923077 |
7 | A12 | 0.560748 | 0.923077 |
8 | OOB | 0.547009 | 0.897436 |
9 | ACP | 0.540541 | 0.910256 |
10 | 00A | 0.537815 | 0.853659 |
11 | ACQ | 0.535088 | 0.910256 |
12 | A2D | 0.527778 | 0.909091 |
13 | 6YZ | 0.521368 | 0.910256 |
14 | BA3 | 0.518182 | 0.909091 |
15 | AU1 | 0.517857 | 0.8625 |
16 | M33 | 0.517857 | 0.873418 |
17 | CA0 | 0.517857 | 0.886076 |
18 | TAD | 0.515625 | 0.901235 |
19 | A | 0.514019 | 0.858974 |
20 | AMP | 0.514019 | 0.858974 |
21 | 45A | 0.513761 | 0.8375 |
22 | ABM | 0.513761 | 0.8375 |
23 | AP5 | 0.513514 | 0.909091 |
24 | ADP | 0.513514 | 0.884615 |
25 | B4P | 0.513514 | 0.909091 |
26 | KG4 | 0.513274 | 0.886076 |
27 | DLL | 0.512397 | 0.897436 |
28 | AN2 | 0.508929 | 0.873418 |
29 | AT4 | 0.508929 | 0.851852 |
30 | 5AL | 0.504274 | 0.873418 |
31 | B5V | 0.504065 | 0.875 |
32 | 9SN | 0.504 | 0.843373 |
33 | CNA | 0.503704 | 0.898734 |
34 | HEJ | 0.5 | 0.884615 |
35 | ATP | 0.5 | 0.884615 |
36 | 8LQ | 0.5 | 0.875 |
37 | 3UK | 0.495935 | 0.886076 |
38 | SRP | 0.495798 | 0.875 |
39 | 5FA | 0.495652 | 0.884615 |
40 | AR6 | 0.495652 | 0.884615 |
41 | APR | 0.495652 | 0.884615 |
42 | AQP | 0.495652 | 0.884615 |
43 | WAQ | 0.491935 | 0.9 |
44 | 8LE | 0.491525 | 0.841463 |
45 | AGS | 0.491379 | 0.841463 |
46 | AD9 | 0.491379 | 0.8625 |
47 | APC MG | 0.491379 | 0.884615 |
48 | SAP | 0.491379 | 0.841463 |
49 | ADX | 0.491228 | 0.802326 |
50 | M24 | 0.489362 | 0.823529 |
51 | B5M | 0.488189 | 0.864198 |
52 | 3OD | 0.488 | 0.886076 |
53 | 1ZZ | 0.488 | 0.835294 |
54 | 50T | 0.486957 | 0.85 |
55 | 9ZD | 0.483607 | 0.831325 |
56 | 9ZA | 0.483607 | 0.831325 |
57 | 8LH | 0.483333 | 0.851852 |
58 | ANP | 0.483051 | 0.8625 |
59 | GAP | 0.483051 | 0.8625 |
60 | PRX | 0.482759 | 0.839506 |
61 | SRA | 0.481818 | 0.817073 |
62 | DND | 0.481203 | 0.898734 |
63 | NAX | 0.481203 | 0.86747 |
64 | TXD | 0.481203 | 0.948718 |
65 | NXX | 0.481203 | 0.898734 |
66 | PR8 | 0.48 | 0.890244 |
67 | 4AD | 0.479675 | 0.8875 |
68 | A1R | 0.479675 | 0.924051 |
69 | A3R | 0.479675 | 0.924051 |
70 | PAJ | 0.479675 | 0.833333 |
71 | HQG | 0.479339 | 0.873418 |
72 | LAQ | 0.477273 | 0.835294 |
73 | FA5 | 0.476562 | 0.898734 |
74 | B5Y | 0.476562 | 0.864198 |
75 | TXA | 0.47619 | 0.875 |
76 | AHX | 0.475806 | 0.865854 |
77 | ATF | 0.475 | 0.851852 |
78 | NAD | 0.47482 | 0.897436 |
79 | OAD | 0.472 | 0.886076 |
80 | 8QN | 0.471545 | 0.873418 |
81 | ADP MG | 0.469565 | 0.858974 |
82 | SON | 0.469565 | 0.898734 |
83 | LAD | 0.468254 | 0.878049 |
84 | AMO | 0.467742 | 0.898734 |
85 | TXE | 0.466667 | 0.924051 |
86 | ATP MG | 0.466102 | 0.858974 |
87 | ADP PO3 | 0.466102 | 0.858974 |
88 | YAP | 0.465116 | 0.8875 |
89 | FYA | 0.464567 | 0.897436 |
90 | A22 | 0.463415 | 0.897436 |
91 | DAL AMP | 0.463415 | 0.85 |
92 | 4TC | 0.463235 | 0.9125 |
93 | XAH | 0.461538 | 0.857143 |
94 | MYR AMP | 0.460938 | 0.813953 |
95 | 9X8 | 0.460317 | 0.841463 |
96 | OZV | 0.459677 | 0.884615 |
97 | NAI | 0.459259 | 0.876543 |
98 | 6V0 | 0.459259 | 0.888889 |
99 | TAT | 0.458333 | 0.851852 |
100 | T99 | 0.458333 | 0.851852 |
101 | A3D | 0.457746 | 0.886076 |
102 | ADQ | 0.456 | 0.886076 |
103 | OMR | 0.455882 | 0.847059 |
104 | AMP NAD | 0.453901 | 0.873418 |
105 | NB8 | 0.453125 | 0.865854 |
106 | BIS | 0.453125 | 0.831325 |
107 | PTJ | 0.453125 | 0.821429 |
108 | ME8 | 0.453125 | 0.835294 |
109 | F0P | 0.452555 | 0.814815 |
110 | LPA AMP | 0.451852 | 0.813953 |
111 | BT5 | 0.450704 | 0.827586 |
112 | 5SV | 0.448 | 0.821429 |
113 | 25A | 0.448 | 0.884615 |
114 | VO4 ADP | 0.447154 | 0.85 |
115 | ADP VO4 | 0.447154 | 0.85 |
116 | TYR AMP | 0.44697 | 0.864198 |
117 | IOT | 0.446043 | 0.848837 |
118 | TYM | 0.445255 | 0.898734 |
119 | OZP | 0.441176 | 0.814815 |
120 | 4UU | 0.440298 | 0.864198 |
121 | MAP | 0.44 | 0.841463 |
122 | ALF ADP | 0.439024 | 0.797619 |
123 | ADP ALF | 0.439024 | 0.797619 |
124 | AOC | 0.438596 | 0.772152 |
125 | 25L | 0.438462 | 0.897436 |
126 | 4UW | 0.437956 | 0.833333 |
127 | UP5 | 0.437956 | 0.8875 |
128 | 80F | 0.4375 | 0.837209 |
129 | 4UV | 0.43609 | 0.864198 |
130 | A A | 0.434109 | 0.860759 |
131 | LMS | 0.433628 | 0.761364 |
132 | T5A | 0.432624 | 0.880952 |
133 | ATP A | 0.431818 | 0.871795 |
134 | ATP A A A | 0.431818 | 0.871795 |
135 | 48N | 0.430657 | 0.865854 |
136 | YLP | 0.430657 | 0.858824 |
137 | 7MD | 0.42963 | 0.879518 |
138 | ARG AMP | 0.42963 | 0.804598 |
139 | ZID | 0.42953 | 0.886076 |
140 | A3P | 0.42735 | 0.858974 |
141 | G5A | 0.42623 | 0.777778 |
142 | NAE | 0.425676 | 0.864198 |
143 | AMP DBH | 0.425373 | 0.839506 |
144 | EAD | 0.423841 | 0.845238 |
145 | G3A | 0.422222 | 0.865854 |
146 | AP0 | 0.421429 | 0.843373 |
147 | 52H | 0.420635 | 0.73913 |
148 | KOY | 0.42029 | 0.777778 |
149 | 9K8 | 0.419847 | 0.697917 |
150 | AFH | 0.419118 | 0.855422 |
151 | G5P | 0.419118 | 0.865854 |
152 | GA7 | 0.419118 | 0.875 |
153 | PAP | 0.418033 | 0.871795 |
154 | F2R | 0.416667 | 0.837209 |
155 | GTA | 0.416058 | 0.835294 |
156 | ADP BMA | 0.415385 | 0.8625 |
157 | COD | 0.413793 | 0.850575 |
158 | NAQ | 0.413333 | 0.843373 |
159 | H1Q | 0.413223 | 0.825 |
160 | AHZ | 0.413043 | 0.772727 |
161 | P1H | 0.412903 | 0.825581 |
162 | NDE | 0.412903 | 0.875 |
163 | ADJ | 0.412587 | 0.891566 |
164 | 139 | 0.412587 | 0.890244 |
165 | 5AS | 0.411765 | 0.758242 |
166 | YLC | 0.411348 | 0.857143 |
167 | YLB | 0.411348 | 0.858824 |
168 | 7MC | 0.411348 | 0.858824 |
169 | 54H | 0.409449 | 0.747253 |
170 | VMS | 0.409449 | 0.747253 |
171 | JB6 | 0.409091 | 0.876543 |
172 | A4P | 0.408451 | 0.818182 |
173 | 5N5 | 0.407407 | 0.769231 |
174 | TSB | 0.40625 | 0.775281 |
175 | 53H | 0.40625 | 0.73913 |
176 | 8X1 | 0.40625 | 0.752688 |
177 | NAJ PZO | 0.405405 | 0.821429 |
178 | A5A | 0.404762 | 0.764045 |
179 | 9JJ | 0.404762 | 0.835294 |
180 | N37 | 0.404255 | 0.756098 |
181 | 0WD | 0.40411 | 0.865854 |
182 | BTX | 0.40411 | 0.837209 |
183 | 4TA | 0.40411 | 0.847059 |
184 | 5CD | 0.40367 | 0.734177 |
185 | A4D | 0.40367 | 0.746835 |
186 | YLA | 0.402778 | 0.858824 |
187 | ADN | 0.401869 | 0.769231 |
188 | XYA | 0.401869 | 0.769231 |
189 | RAB | 0.401869 | 0.769231 |
190 | DTA | 0.401786 | 0.7625 |
191 | SSA | 0.401575 | 0.777778 |
192 | P5A | 0.401515 | 0.782609 |
193 | 7C5 | 0.40146 | 0.771084 |
194 | UPA | 0.401408 | 0.876543 |
195 | N0B | 0.401316 | 0.880952 |
196 | AYB | 0.4 | 0.848837 |
197 | 8PZ | 0.4 | 0.797753 |
198 | YLY | 0.4 | 0.848837 |
199 | DSZ | 0.4 | 0.777778 |
200 | LSS | 0.4 | 0.741935 |
This union binding pocket(no: 1) in the query (biounit: 4buz.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 4buz.bio1) has 29 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 3) in the query (biounit: 4buz.bio1) has 32 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |