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- Structure Biounit | Ligand Information
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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 5C5H | Kd = 394 nM | 4YB | C21 H22 N6 O10 S | c1ccc(c(c1.... |
2 | 6NJ0 | ic50 = 8.1 uM | KOY | C26 H25 N5 O7 | c1ccc(c(c1.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 2 families. | |||||
1 | 5C5H | Kd = 394 nM | 4YB | C21 H22 N6 O10 S | c1ccc(c(c1.... |
2 | 6NJ0 | ic50 = 8.1 uM | KOY | C26 H25 N5 O7 | c1ccc(c(c1.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | 4YB | 1 | 1 |
2 | G5A | 0.670103 | 0.931035 |
3 | 649 | 0.631579 | 0.932584 |
4 | KOY | 0.628319 | 0.767442 |
5 | 8PZ | 0.623853 | 0.953488 |
6 | B1U | 0.618182 | 0.880435 |
7 | A5A | 0.617647 | 0.918605 |
8 | DSZ | 0.603774 | 0.953488 |
9 | NVA LMS | 0.598131 | 0.921348 |
10 | SSA | 0.596154 | 0.931035 |
11 | 54H | 0.590476 | 0.897727 |
12 | VMS | 0.590476 | 0.897727 |
13 | 52H | 0.590476 | 0.88764 |
14 | GSU | 0.587156 | 0.976471 |
15 | 8X1 | 0.584906 | 0.921348 |
16 | 53H | 0.584906 | 0.88764 |
17 | 5CA | 0.584906 | 0.931035 |
18 | TSB | 0.584906 | 0.908046 |
19 | 5AS | 0.575758 | 0.866667 |
20 | NSS | 0.574074 | 0.931035 |
21 | LSS | 0.574074 | 0.910112 |
22 | LMS | 0.5625 | 0.917647 |
23 | YSA | 0.561404 | 0.953488 |
24 | KAA | 0.558559 | 0.921348 |
25 | P5A | 0.558559 | 0.911111 |
26 | 8Q2 | 0.558333 | 0.921348 |
27 | WSA | 0.53719 | 0.964706 |
28 | QXP | 0.522523 | 0.853933 |
29 | 3UK | 0.522124 | 0.825581 |
30 | SLU | 0.507692 | 0.898876 |
31 | SON | 0.495238 | 0.795455 |
32 | AMP MG | 0.49505 | 0.747126 |
33 | B5V | 0.491379 | 0.816092 |
34 | V2G | 0.490909 | 0.788889 |
35 | AOC | 0.490196 | 0.681818 |
36 | KG4 | 0.485981 | 0.784091 |
37 | A | 0.485149 | 0.758621 |
38 | AMP | 0.485149 | 0.758621 |
39 | QXG | 0.482759 | 0.844444 |
40 | SRA | 0.480392 | 0.784091 |
41 | CA0 | 0.476636 | 0.784091 |
42 | DLL | 0.474138 | 0.813953 |
43 | A2D | 0.471154 | 0.781609 |
44 | 45A | 0.471154 | 0.741573 |
45 | ABM | 0.471154 | 0.741573 |
46 | LEU LMS | 0.470085 | 0.857143 |
47 | OOB | 0.469565 | 0.813953 |
48 | V47 | 0.469027 | 0.729412 |
49 | GAP | 0.468468 | 0.764045 |
50 | S0N | 0.466216 | 0.755102 |
51 | R2V | 0.466102 | 0.833333 |
52 | 8LE | 0.464286 | 0.766667 |
53 | AU1 | 0.462963 | 0.764045 |
54 | M33 | 0.462963 | 0.752809 |
55 | ADX | 0.462963 | 0.873563 |
56 | A12 | 0.462264 | 0.755556 |
57 | BA3 | 0.462264 | 0.781609 |
58 | AP2 | 0.462264 | 0.755556 |
59 | TXA | 0.462185 | 0.775281 |
60 | 8LQ | 0.46087 | 0.795455 |
61 | QA7 | 0.46087 | 0.766667 |
62 | 50T | 0.458716 | 0.733333 |
63 | 5X8 | 0.458716 | 0.732558 |
64 | H1Q | 0.458716 | 0.75 |
65 | AP5 | 0.457944 | 0.781609 |
66 | B4P | 0.457944 | 0.781609 |
67 | ADP | 0.457944 | 0.761364 |
68 | PRX | 0.454545 | 0.744444 |
69 | 9SN | 0.454545 | 0.788889 |
70 | APC | 0.454545 | 0.755556 |
71 | WAQ | 0.453782 | 0.797753 |
72 | AT4 | 0.453704 | 0.775281 |
73 | ADP MG | 0.453704 | 0.758621 |
74 | ADP BEF | 0.453704 | 0.758621 |
75 | AN2 | 0.453704 | 0.772727 |
76 | 5CD | 0.453608 | 0.666667 |
77 | XYA | 0.452632 | 0.678161 |
78 | RAB | 0.452632 | 0.678161 |
79 | ADN | 0.452632 | 0.678161 |
80 | 5AL | 0.451327 | 0.793103 |
81 | 3DH | 0.45098 | 0.662921 |
82 | ADP PO3 | 0.45045 | 0.758621 |
83 | ATP MG | 0.45045 | 0.758621 |
84 | AGS | 0.45045 | 0.786517 |
85 | 1ZZ | 0.45 | 0.744681 |
86 | ALF ADP | 0.447368 | 0.709677 |
87 | 67D | 0.44697 | 0.954023 |
88 | ATP | 0.445455 | 0.761364 |
89 | HEJ | 0.445455 | 0.761364 |
90 | ACP | 0.445455 | 0.764045 |
91 | 9ZA | 0.444444 | 0.777778 |
92 | 9ZD | 0.444444 | 0.777778 |
93 | AMP DBH | 0.443548 | 0.764045 |
94 | SRP | 0.443478 | 0.816092 |
95 | 8LH | 0.443478 | 0.775281 |
96 | 5N5 | 0.443299 | 0.659091 |
97 | ANP | 0.442478 | 0.764045 |
98 | ACQ | 0.442478 | 0.764045 |
99 | APR | 0.441441 | 0.781609 |
100 | 5FA | 0.441441 | 0.761364 |
101 | AQP | 0.441441 | 0.761364 |
102 | AR6 | 0.441441 | 0.781609 |
103 | AMO | 0.440678 | 0.816092 |
104 | HQG | 0.439655 | 0.772727 |
105 | B5M | 0.439024 | 0.806818 |
106 | FA5 | 0.439024 | 0.837209 |
107 | A4D | 0.438776 | 0.678161 |
108 | 9K8 | 0.438017 | 0.8 |
109 | NB8 | 0.438017 | 0.808989 |
110 | 594 | 0.437956 | 0.835052 |
111 | AD9 | 0.4375 | 0.744444 |
112 | APC MG | 0.4375 | 0.741573 |
113 | RBY | 0.4375 | 0.775281 |
114 | ADV | 0.4375 | 0.775281 |
115 | AHX | 0.436975 | 0.788889 |
116 | 00A | 0.436975 | 0.777778 |
117 | 7MD | 0.436508 | 0.802198 |
118 | DAL AMP | 0.435897 | 0.772727 |
119 | A22 | 0.435897 | 0.772727 |
120 | DTA | 0.435644 | 0.712644 |
121 | ANP MG | 0.434783 | 0.772727 |
122 | MYR AMP | 0.434426 | 0.726316 |
123 | DND | 0.434109 | 0.795455 |
124 | BEF ADP | 0.433628 | 0.741573 |
125 | 25A | 0.432203 | 0.781609 |
126 | 8QN | 0.432203 | 0.793103 |
127 | MTA | 0.431373 | 0.662921 |
128 | J7C | 0.429907 | 0.681319 |
129 | TAT | 0.429825 | 0.775281 |
130 | T99 | 0.429825 | 0.775281 |
131 | PR8 | 0.429752 | 0.791209 |
132 | LAD | 0.429752 | 0.8 |
133 | PAJ | 0.428571 | 0.741935 |
134 | 4AD | 0.428571 | 0.806818 |
135 | ADQ | 0.428571 | 0.784091 |
136 | YLB | 0.427481 | 0.765957 |
137 | B5Y | 0.427419 | 0.806818 |
138 | K3K | 0.427419 | 0.688889 |
139 | FYA | 0.42623 | 0.793103 |
140 | ME8 | 0.42623 | 0.802198 |
141 | EP4 | 0.425743 | 0.630435 |
142 | A5D | 0.424779 | 0.712644 |
143 | SA8 | 0.424779 | 0.684783 |
144 | 6RE | 0.424528 | 0.673913 |
145 | MAP | 0.423729 | 0.747253 |
146 | NAX | 0.423077 | 0.791209 |
147 | ATF | 0.422414 | 0.736264 |
148 | VO4 ADP | 0.422414 | 0.744444 |
149 | DQV | 0.421875 | 0.793103 |
150 | M2T | 0.421569 | 0.652174 |
151 | OAD | 0.421488 | 0.784091 |
152 | SAH | 0.421053 | 0.735632 |
153 | 5SV | 0.420168 | 0.712766 |
154 | SFG | 0.419643 | 0.72093 |
155 | 6YZ | 0.418803 | 0.764045 |
156 | LAQ | 0.418605 | 0.782609 |
157 | A3N | 0.416667 | 0.637363 |
158 | 0UM | 0.416667 | 0.677419 |
159 | YLP | 0.415385 | 0.765957 |
160 | PTJ | 0.414634 | 0.75 |
161 | BIS | 0.414634 | 0.73913 |
162 | 3OD | 0.414634 | 0.784091 |
163 | 590 | 0.413793 | 0.845361 |
164 | EEM | 0.413793 | 0.670213 |
165 | GJV | 0.412844 | 0.666667 |
166 | XAH | 0.412698 | 0.782609 |
167 | 25L | 0.41129 | 0.772727 |
168 | KXW | 0.410853 | 0.703297 |
169 | TAD | 0.410853 | 0.76087 |
170 | NWW | 0.41 | 0.627907 |
171 | K15 | 0.409836 | 0.663158 |
172 | 9X8 | 0.409836 | 0.786517 |
173 | ADP BMA | 0.409836 | 0.764045 |
174 | 4UV | 0.409449 | 0.786517 |
175 | K3E | 0.409449 | 0.681319 |
176 | OMR | 0.409091 | 0.736842 |
177 | MAO | 0.409091 | 0.712766 |
178 | TYM | 0.409091 | 0.837209 |
179 | SAI | 0.408696 | 0.707865 |
180 | OZV | 0.408333 | 0.761364 |
181 | DSH | 0.407407 | 0.681319 |
182 | NEC | 0.407407 | 0.622222 |
183 | A3G | 0.407407 | 0.704545 |
184 | SMM | 0.40678 | 0.702128 |
185 | S7M | 0.40678 | 0.706522 |
186 | 7C5 | 0.40625 | 0.741573 |
187 | NAD IBO | 0.406015 | 0.781609 |
188 | 7MC | 0.406015 | 0.784946 |
189 | NAD TDB | 0.406015 | 0.781609 |
190 | A1R | 0.404959 | 0.758242 |
191 | A3R | 0.404959 | 0.758242 |
192 | ATP A | 0.404762 | 0.770115 |
193 | ATP A A A | 0.404762 | 0.770115 |
194 | LPA AMP | 0.40458 | 0.763441 |
195 | 48N | 0.40458 | 0.769231 |
196 | BS5 | 0.404412 | 0.802083 |
197 | SXZ | 0.403226 | 0.706522 |
198 | ARG AMP | 0.403101 | 0.755319 |
199 | ZAS | 0.401869 | 0.677778 |
200 | JNT | 0.401639 | 0.764045 |
201 | EU9 | 0.401515 | 0.755319 |
202 | 6V0 | 0.401515 | 0.75 |
203 | F2R | 0.40146 | 0.765957 |
204 | S4M | 0.4 | 0.649485 |
205 | KY5 | 0.4 | 0.681319 |
206 | IOT | 0.4 | 0.757895 |
207 | KB1 | 0.4 | 0.695652 |
208 | EO7 | 0.4 | 0.876405 |
No: | Ligand | Similarity coefficient |
---|
This union binding pocket(no: 1) in the query (biounit: 5c5h.bio2) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 5c5h.bio1) has 27 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |