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No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 10 families. | |||||
1 | 2PID | - | YSA | C19 H23 N7 O8 S | c1cc(ccc1C.... |
No: | PDB id | Binding Data | Representative ligand | Formula | Smiles |
---|---|---|---|---|---|
The Class containing this family consists of a total of 4 families. | |||||
1 | 1WQ4 | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
2 | 2YXN | - | AZY | C9 H10 N4 O3 | c1cc(c(cc1.... |
3 | 1WQ3 | - | IYR | C9 H10 I N O3 | c1cc(c(cc1.... |
4 | 1X8X | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
5 | 1Y42 | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
6 | 6HB7 | - | Y3U | C19 H24 N4 O10 S | CN1C(=O)C=.... |
7 | 6HB6 | - | YSU | C18 H22 N4 O10 S | c1cc(ccc1C.... |
8 | 6HB5 | - | YSC | C18 H23 N5 O9 S | c1cc(ccc1C.... |
9 | 7AP3 | - | RRB | C22 H27 N5 O9 S | c1cc(ccc1C.... |
10 | 6I5Y | - | YSA | C19 H23 N7 O8 S | c1cc(ccc1C.... |
11 | 1JIL | ic50 = 4 nM | 485 | C17 H24 N2 O8 | C[C@@H]1[C.... |
12 | 2PID | - | YSA | C19 H23 N7 O8 S | c1cc(ccc1C.... |
13 | 1TYB | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
14 | 4TS1 | Kd = 11.6 uM | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
15 | 1TYD | - | TYR | C9 H11 N O3 | c1cc(ccc1C.... |
No: | Ligand | ECFP6 Tc | MDL keys Tc |
---|---|---|---|
1 | YSA | 1 | 1 |
2 | SSA | 0.76087 | 0.952941 |
3 | 5CA | 0.744681 | 0.952941 |
4 | A5A | 0.731183 | 0.940476 |
5 | LSS | 0.729167 | 0.931035 |
6 | DSZ | 0.729167 | 0.952941 |
7 | GSU | 0.72449 | 0.952941 |
8 | KAA | 0.707071 | 0.920455 |
9 | WSA | 0.700935 | 0.987952 |
10 | VMS | 0.697917 | 0.918605 |
11 | 54H | 0.697917 | 0.918605 |
12 | TSB | 0.690722 | 0.929412 |
13 | 53H | 0.690722 | 0.908046 |
14 | 52H | 0.680412 | 0.908046 |
15 | NSS | 0.66 | 0.952941 |
16 | NVA LMS | 0.653465 | 0.920455 |
17 | G5A | 0.645833 | 0.952941 |
18 | RRB | 0.633027 | 0.964286 |
19 | 8X1 | 0.607843 | 0.920455 |
20 | D3Y | 0.607843 | 0.752941 |
21 | 8PZ | 0.601852 | 0.97619 |
22 | 5AS | 0.6 | 0.886364 |
23 | B1U | 0.581818 | 0.879121 |
24 | P5A | 0.579439 | 0.910112 |
25 | 8Q2 | 0.577586 | 0.965116 |
26 | LMS | 0.569892 | 0.939759 |
27 | 4YB | 0.561404 | 0.953488 |
28 | 649 | 0.555556 | 0.954023 |
29 | AHX | 0.53211 | 0.806818 |
30 | FA5 | 0.530973 | 0.835294 |
31 | SON | 0.53 | 0.793103 |
32 | CA0 | 0.524752 | 0.781609 |
33 | SLU | 0.52381 | 0.94186 |
34 | 5AL | 0.52381 | 0.790698 |
35 | 3NZ | 0.522523 | 0.747126 |
36 | AMP | 0.520833 | 0.776471 |
37 | A | 0.520833 | 0.776471 |
38 | 5X8 | 0.519608 | 0.729412 |
39 | AMP MG | 0.515464 | 0.764706 |
40 | SRP | 0.514019 | 0.813953 |
41 | LEU LMS | 0.513514 | 0.855556 |
42 | ABM | 0.50505 | 0.758621 |
43 | A2D | 0.50505 | 0.8 |
44 | 45A | 0.50505 | 0.758621 |
45 | KG4 | 0.504854 | 0.781609 |
46 | QA7 | 0.504587 | 0.764045 |
47 | DLL | 0.504505 | 0.811765 |
48 | FYA | 0.504425 | 0.811765 |
49 | AN2 | 0.5 | 0.790698 |
50 | XAH | 0.5 | 0.78022 |
51 | SRA | 0.5 | 0.802326 |
52 | AMO | 0.495495 | 0.813953 |
53 | V2G | 0.495327 | 0.786517 |
54 | ADX | 0.495146 | 0.894118 |
55 | AU1 | 0.495146 | 0.781609 |
56 | AP2 | 0.49505 | 0.772727 |
57 | A12 | 0.49505 | 0.772727 |
58 | BA3 | 0.49505 | 0.8 |
59 | AOC | 0.494949 | 0.697674 |
60 | NB8 | 0.491228 | 0.806818 |
61 | 8LQ | 0.490909 | 0.793103 |
62 | ADP | 0.490196 | 0.77907 |
63 | AP5 | 0.490196 | 0.8 |
64 | B4P | 0.490196 | 0.8 |
65 | 5CD | 0.48913 | 0.682353 |
66 | 7MD | 0.487395 | 0.78022 |
67 | 9ZD | 0.486486 | 0.775281 |
68 | 9ZA | 0.486486 | 0.775281 |
69 | 8QN | 0.486486 | 0.790698 |
70 | 8LH | 0.486239 | 0.772727 |
71 | GAP | 0.485981 | 0.761364 |
72 | AT4 | 0.485437 | 0.793103 |
73 | ADP MG | 0.485437 | 0.776471 |
74 | ADP BEF | 0.485437 | 0.776471 |
75 | YSC | 0.482456 | 0.886364 |
76 | LAD | 0.482456 | 0.777778 |
77 | WAQ | 0.482456 | 0.775281 |
78 | 8LE | 0.481481 | 0.764045 |
79 | M33 | 0.480769 | 0.770115 |
80 | ME8 | 0.478261 | 0.78022 |
81 | TXA | 0.478261 | 0.772727 |
82 | 5N5 | 0.478261 | 0.674419 |
83 | DAL AMP | 0.477477 | 0.770115 |
84 | MAP | 0.477477 | 0.764045 |
85 | SAH | 0.476636 | 0.712644 |
86 | 50T | 0.47619 | 0.75 |
87 | SFG | 0.47619 | 0.697674 |
88 | ATP | 0.47619 | 0.77907 |
89 | HEJ | 0.47619 | 0.77907 |
90 | ACP | 0.47619 | 0.781609 |
91 | 3UK | 0.473684 | 0.802326 |
92 | OOB | 0.473214 | 0.811765 |
93 | RAB | 0.472527 | 0.694118 |
94 | ADN | 0.472527 | 0.694118 |
95 | XYA | 0.472527 | 0.694118 |
96 | ANP | 0.472222 | 0.781609 |
97 | AR6 | 0.471698 | 0.77907 |
98 | APC | 0.471698 | 0.772727 |
99 | 5FA | 0.471698 | 0.77907 |
100 | APR | 0.471698 | 0.77907 |
101 | AQP | 0.471698 | 0.77907 |
102 | PRX | 0.471698 | 0.741573 |
103 | 9SN | 0.470085 | 0.766667 |
104 | B5V | 0.469565 | 0.813953 |
105 | 3DH | 0.469388 | 0.678161 |
106 | RUZ | 0.469027 | 0.929412 |
107 | PAJ | 0.469027 | 0.73913 |
108 | 4AD | 0.469027 | 0.804598 |
109 | TYM | 0.467742 | 0.835294 |
110 | AD9 | 0.46729 | 0.761364 |
111 | ADV | 0.46729 | 0.772727 |
112 | SA8 | 0.46729 | 0.663043 |
113 | APC MG | 0.46729 | 0.758621 |
114 | AGS | 0.46729 | 0.804598 |
115 | RBY | 0.46729 | 0.772727 |
116 | ADP PO3 | 0.46729 | 0.776471 |
117 | ATP MG | 0.46729 | 0.776471 |
118 | B5Y | 0.466102 | 0.804598 |
119 | 9K8 | 0.465517 | 0.778947 |
120 | 1ZZ | 0.465517 | 0.723404 |
121 | 00A | 0.464912 | 0.775281 |
122 | 7MC | 0.464 | 0.763441 |
123 | ANP MG | 0.463636 | 0.790698 |
124 | BEF ADP | 0.462963 | 0.758621 |
125 | H1Q | 0.462264 | 0.767442 |
126 | YSU | 0.46087 | 0.895349 |
127 | QXP | 0.460177 | 0.852273 |
128 | SMM | 0.459459 | 0.680851 |
129 | S7M | 0.459459 | 0.684783 |
130 | ACQ | 0.458716 | 0.781609 |
131 | T99 | 0.458716 | 0.793103 |
132 | TAT | 0.458716 | 0.793103 |
133 | SAM | 0.458716 | 0.684783 |
134 | AMP DBH | 0.458333 | 0.761364 |
135 | A4D | 0.457447 | 0.694118 |
136 | A3S | 0.457143 | 0.729412 |
137 | J4G | 0.456897 | 0.804598 |
138 | Y3U | 0.456897 | 0.875 |
139 | R2V | 0.456897 | 0.873563 |
140 | ADQ | 0.45614 | 0.781609 |
141 | 6RE | 0.455446 | 0.67033 |
142 | B5M | 0.453782 | 0.804598 |
143 | DTA | 0.453608 | 0.729412 |
144 | M2T | 0.453608 | 0.666667 |
145 | PTJ | 0.452991 | 0.747253 |
146 | YLC | 0.452381 | 0.76087 |
147 | YLB | 0.452381 | 0.744681 |
148 | JNT | 0.452174 | 0.781609 |
149 | YLP | 0.451613 | 0.744681 |
150 | A22 | 0.451327 | 0.790698 |
151 | ATF | 0.45045 | 0.752809 |
152 | ALF ADP | 0.45045 | 0.725275 |
153 | VO4 ADP | 0.45045 | 0.761364 |
154 | SAI | 0.449541 | 0.685393 |
155 | RRW | 0.449153 | 0.897727 |
156 | RSN | 0.449153 | 0.918605 |
157 | MYR AMP | 0.449153 | 0.705263 |
158 | KB1 | 0.449153 | 0.673913 |
159 | ADP BMA | 0.448276 | 0.761364 |
160 | OAD | 0.448276 | 0.781609 |
161 | QXG | 0.448276 | 0.863636 |
162 | 25A | 0.447368 | 0.8 |
163 | OZV | 0.447368 | 0.77907 |
164 | J7C | 0.446602 | 0.677778 |
165 | A3N | 0.446602 | 0.651685 |
166 | 6YZ | 0.446429 | 0.781609 |
167 | PR8 | 0.444444 | 0.769231 |
168 | LAQ | 0.443548 | 0.76087 |
169 | 0UM | 0.443478 | 0.655914 |
170 | A1R | 0.443478 | 0.775281 |
171 | EP4 | 0.443299 | 0.644444 |
172 | HQG | 0.442478 | 0.770115 |
173 | EEM | 0.441441 | 0.648936 |
174 | 3OD | 0.440678 | 0.781609 |
175 | 48N | 0.44 | 0.766667 |
176 | KOY | 0.44 | 0.744186 |
177 | 4UU | 0.439024 | 0.784091 |
178 | ARG AMP | 0.439024 | 0.734043 |
179 | DND | 0.436508 | 0.793103 |
180 | 9X8 | 0.435897 | 0.784091 |
181 | A3T | 0.435185 | 0.697674 |
182 | F2R | 0.435115 | 0.744681 |
183 | 5SV | 0.434783 | 0.709677 |
184 | MTA | 0.434343 | 0.678161 |
185 | IOT | 0.434109 | 0.736842 |
186 | A3R | 0.431034 | 0.775281 |
187 | 7C5 | 0.430894 | 0.719101 |
188 | YLA | 0.430769 | 0.744681 |
189 | A7D | 0.429907 | 0.701149 |
190 | KMQ | 0.429752 | 0.752809 |
191 | NAD TDB | 0.429688 | 0.8 |
192 | NAD IBO | 0.429688 | 0.8 |
193 | JB6 | 0.428571 | 0.816092 |
194 | BIS | 0.428571 | 0.736264 |
195 | LPA AMP | 0.428571 | 0.741935 |
196 | GJV | 0.428571 | 0.663043 |
197 | S4M | 0.428571 | 0.645833 |
198 | AYB | 0.427481 | 0.736842 |
199 | GA7 | 0.427419 | 0.772727 |
200 | NWW | 0.427083 | 0.642857 |
201 | 80F | 0.425373 | 0.782609 |
202 | NAX | 0.425197 | 0.788889 |
203 | 25L | 0.425 | 0.790698 |
204 | DQV | 0.424 | 0.811765 |
205 | TAD | 0.424 | 0.777778 |
206 | K15 | 0.423729 | 0.642105 |
207 | VRT | 0.423423 | 0.696629 |
208 | A3G | 0.423077 | 0.72093 |
209 | DSH | 0.423077 | 0.677778 |
210 | 4UV | 0.422764 | 0.784091 |
211 | TXE | 0.421875 | 0.775281 |
212 | OMR | 0.421875 | 0.715789 |
213 | ALF ADP 3PG | 0.421875 | 0.73913 |
214 | V47 | 0.421053 | 0.705882 |
215 | COD | 0.421053 | 0.739583 |
216 | ATP A | 0.418033 | 0.788235 |
217 | ATP A A A | 0.418033 | 0.788235 |
218 | ZAS | 0.417476 | 0.693182 |
219 | SXZ | 0.416667 | 0.684783 |
220 | 67D | 0.416667 | 0.931035 |
221 | YLY | 0.416058 | 0.736842 |
222 | 62X | 0.415254 | 0.628866 |
223 | EO7 | 0.415094 | 0.896552 |
224 | A5D | 0.414414 | 0.729412 |
225 | EU9 | 0.414062 | 0.715789 |
226 | TXD | 0.414062 | 0.775281 |
227 | NAI | 0.414062 | 0.775281 |
228 | 6V0 | 0.414062 | 0.766667 |
229 | D4F | 0.413043 | 0.8 |
230 | MHZ | 0.412844 | 0.65625 |
231 | KXW | 0.412698 | 0.681319 |
232 | A3P | 0.411215 | 0.776471 |
233 | MAO | 0.411215 | 0.709677 |
234 | AF3 ADP 3PG | 0.410853 | 0.73913 |
235 | AMP NAD | 0.410448 | 0.790698 |
236 | NAD | 0.410448 | 0.811765 |
237 | GEK | 0.410256 | 0.727273 |
238 | NEC | 0.409524 | 0.636364 |
239 | AHZ | 0.409449 | 0.723404 |
240 | 2VA | 0.409091 | 0.681818 |
241 | 3AM | 0.407767 | 0.744186 |
242 | Q34 | 0.407692 | 0.652632 |
243 | BT5 | 0.407407 | 0.755319 |
244 | CNA | 0.406015 | 0.813953 |
245 | AR6 AR6 | 0.404762 | 0.77907 |
246 | AFH | 0.404762 | 0.758242 |
247 | A3D | 0.404412 | 0.802326 |
248 | 5AD | 0.404255 | 0.630952 |
249 | KYE | 0.403226 | 0.652632 |
250 | 4UW | 0.403101 | 0.758242 |
251 | 7D5 | 0.401961 | 0.707865 |
252 | GTA | 0.401575 | 0.741935 |
253 | K3E | 0.4 | 0.677778 |
254 | N37 | 0.4 | 0.704545 |
255 | NAQ | 0.4 | 0.766667 |
This union binding pocket(no: 1) in the query (biounit: 2pid.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |
This union binding pocket(no: 2) in the query (biounit: 2pid.bio1) has 28 residues | |||
---|---|---|---|
No: | Leader PDB | Ligand | Sequence Similarity |