Receptor
PDB id Resolution Class Description Source Keywords
3VGJ 2.21 Å EC: 6.1.1.1 CRYSTAL OF PLASMODIUM FALCIPARUM TYROSYL-TRNA SYNTHETASE (PF COMPLEX WITH ADENYLATE ANALOG PLASMODIUM FALCIPARUM TYRRS SYNTHETASE LIGASE
Ref.: MALARIA PARASITE TYROSYL-TRNA SYNTHETASE SECRETION PRO-INFLAMMATORY RESPONSES. NAT COMMUN V. 2 530 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
YAP A:374;
B:374;
Valid;
Valid;
none;
none;
submit data
510.394 C19 H23 N6 O9 P c1cc(...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VGJ 2.21 Å EC: 6.1.1.1 CRYSTAL OF PLASMODIUM FALCIPARUM TYROSYL-TRNA SYNTHETASE (PF COMPLEX WITH ADENYLATE ANALOG PLASMODIUM FALCIPARUM TYRRS SYNTHETASE LIGASE
Ref.: MALARIA PARASITE TYROSYL-TRNA SYNTHETASE SECRETION PRO-INFLAMMATORY RESPONSES. NAT COMMUN V. 2 530 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 3VGJ - YAP C19 H23 N6 O9 P c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 3VGJ - YAP C19 H23 N6 O9 P c1cc(ccc1C....
50% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2CYB - TYR C9 H11 N O3 c1cc(ccc1C....
2 4NX2 - 2LT C9 H9 Cl2 N O3 c1c(cc(c(c....
3 3QE4 - 4CF C10 H10 N2 O2 c1cc(ccc1C....
4 4NDA - NIY C9 H10 N2 O5 c1cc(c(cc1....
5 3D6V - TFQ C11 H12 F3 N O2 c1cc(ccc1C....
6 2AG6 - 4BF C9 H10 Br N O2 c1cc(ccc1C....
7 3D6U - T11 C11 H12 F3 N3 O2 c1cc(ccc1C....
8 4PBT - 2LQ C18 H24 N2 O3 c1cc(ccc1C....
9 5N5U - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 2HGZ - PBF C16 H15 N O3 c1ccc(cc1)....
11 4PBR - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
12 5L7P - BUU C16 H16 N2 O6 c1ccc(c(c1....
13 2PXH - BP5 C13 H13 N3 O2 c1ccnc(c1)....
14 5NSF - 96Z C13 H15 N O2 C1C=CC2=CC....
15 3N2Y - TEF C10 H11 N5 O2 c1cc(ccc1C....
16 1ZH6 - 4AF C11 H13 N O3 CC(=O)c1cc....
17 4PBS - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
18 1ZH0 - NAL C13 H13 N O2 c1ccc2cc(c....
19 2CYC - TYR C9 H11 N O3 c1cc(ccc1C....
20 1Q11 - TYE C9 H13 N O2 c1cc(ccc1C....
21 5THH - TYR C9 H11 N O3 c1cc(ccc1C....
22 3VGJ - YAP C19 H23 N6 O9 P c1cc(ccc1C....
23 2J5B - TYE C9 H13 N O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YAP; Similar ligands found: 311
No: Ligand ECFP6 Tc MDL keys Tc
1 YAP 1 1
2 FA5 0.849462 0.986486
3 SRP 0.769231 0.96
4 AMO 0.736842 0.96
5 5AL 0.728261 0.933333
6 LAD 0.714286 0.911392
7 8LH 0.712766 0.909091
8 NB8 0.707071 0.923077
9 ME8 0.707071 0.888889
10 TYM 0.691589 0.986486
11 8QN 0.690722 0.933333
12 CA0 0.681319 0.921053
13 KG4 0.673913 0.921053
14 PAJ 0.666667 0.864198
15 4AD 0.666667 0.947368
16 8LQ 0.663265 0.934211
17 TYR AMP 0.657143 0.973333
18 8LE 0.65625 0.897436
19 A2D 0.644444 0.92
20 DLL 0.643564 0.959459
21 YLP 0.642202 0.86747
22 PTJ 0.640777 0.875
23 YLC 0.63964 0.888889
24 YLB 0.63964 0.86747
25 AT4 0.634409 0.860759
26 AN2 0.634409 0.883117
27 YSA 0.632075 0.847059
28 WAQ 0.631068 0.910256
29 BA3 0.630435 0.92
30 FYA 0.625 0.933333
31 OOB 0.623762 0.959459
32 AP5 0.623656 0.92
33 B4P 0.623656 0.92
34 ADP 0.623656 0.894737
35 B5V 0.615385 0.96
36 AHX 0.61165 0.898734
37 00A 0.61165 0.910256
38 A 0.611111 0.893333
39 AMP 0.611111 0.893333
40 M33 0.610526 0.883117
41 ADX 0.610526 0.809524
42 1ZZ 0.609524 0.843373
43 YLA 0.608696 0.86747
44 3UK 0.605769 0.946667
45 ACP 0.604167 0.896104
46 50T 0.604167 0.858974
47 HEJ 0.604167 0.894737
48 ATP 0.604167 0.894737
49 AYB 0.603448 0.857143
50 PR8 0.6 0.9
51 9SN 0.598131 0.898734
52 APR 0.597938 0.92
53 PRX 0.597938 0.848101
54 5FA 0.597938 0.894737
55 AQP 0.597938 0.894737
56 AR6 0.597938 0.92
57 ANP 0.59596 0.871795
58 YLY 0.595041 0.857143
59 TXA 0.59434 0.909091
60 B5M 0.592593 0.947368
61 B5Y 0.592593 0.947368
62 AGS 0.591837 0.85
63 SAP 0.591837 0.85
64 AD9 0.591837 0.871795
65 45A 0.591398 0.87013
66 ABM 0.591398 0.87013
67 ACQ 0.58 0.896104
68 AP2 0.578947 0.884615
69 A12 0.578947 0.884615
70 AU1 0.57732 0.871795
71 LAQ 0.575221 0.843373
72 XAH 0.572727 0.865854
73 A1R 0.571429 0.886076
74 SRA 0.569892 0.848101
75 ATF 0.568627 0.860759
76 DAL AMP 0.567308 0.907895
77 SON 0.56701 0.934211
78 3OD 0.564815 0.921053
79 GAP 0.564356 0.896104
80 6YZ 0.563107 0.896104
81 9ZD 0.561905 0.886076
82 9ZA 0.561905 0.886076
83 OZV 0.561905 0.894737
84 OAD 0.560748 0.921053
85 HQG 0.557692 0.907895
86 4UU 0.557522 0.922078
87 ADQ 0.556604 0.921053
88 N0B 0.555556 0.890244
89 4UV 0.553571 0.922078
90 D3Y 0.552381 0.842105
91 A22 0.552381 0.907895
92 ADP MG 0.55102 0.893333
93 APC 0.55 0.884615
94 T99 0.54902 0.860759
95 TAT 0.54902 0.860759
96 5SV 0.54717 0.807229
97 25A 0.54717 0.92
98 9X8 0.546296 0.873418
99 RBY 0.544554 0.909091
100 ADV 0.544554 0.909091
101 A3R 0.542056 0.886076
102 MAP 0.537736 0.85
103 IOT 0.533333 0.857143
104 80F 0.532258 0.890244
105 GA7 0.530435 0.884615
106 ADP PO3 0.529412 0.893333
107 ATP MG 0.529412 0.893333
108 APC MG 0.529412 0.87013
109 DQV 0.525862 0.933333
110 DND 0.525424 0.934211
111 NXX 0.525424 0.934211
112 4UW 0.525424 0.8875
113 NAI 0.525424 0.886076
114 NAX 0.525424 0.9
115 BIS 0.522523 0.839506
116 M24 0.519685 0.876543
117 25L 0.517857 0.907895
118 MYR AMP 0.517857 0.821429
119 7MD 0.517241 0.888889
120 48N 0.516949 0.898734
121 TXD 0.512605 0.886076
122 BT5 0.512 0.857143
123 LMS 0.510417 0.788235
124 ADP ALF 0.509434 0.82716
125 ALF ADP 0.509434 0.82716
126 G3A 0.508621 0.875
127 OMR 0.508333 0.833333
128 TXE 0.508333 0.886076
129 F2R 0.508065 0.86747
130 ADP VO4 0.504673 0.883117
131 VO4 ADP 0.504673 0.883117
132 SSA 0.504673 0.804598
133 AFH 0.504274 0.8875
134 ARG AMP 0.504274 0.855422
135 G5P 0.504274 0.875
136 6V0 0.5 0.875
137 AMP DBH 0.5 0.896104
138 AOC 0.5 0.779221
139 TSB 0.495413 0.781609
140 5CA 0.495413 0.804598
141 A5A 0.495327 0.790698
142 5X8 0.495146 0.815789
143 COD 0.492063 0.816092
144 NAD 0.492063 0.933333
145 AP0 0.491803 0.851852
146 7MC 0.491803 0.86747
147 LPA AMP 0.491667 0.821429
148 ADP BMA 0.491071 0.896104
149 CNA 0.488 0.934211
150 GTA 0.487395 0.843373
151 GSU 0.486726 0.825581
152 A A 0.486726 0.894737
153 LSS 0.486486 0.786517
154 DSZ 0.486486 0.825581
155 VMS 0.486239 0.772727
156 54H 0.486239 0.772727
157 PAP 0.485714 0.881579
158 A3D 0.484375 0.921053
159 5N5 0.483516 0.753247
160 JB6 0.482456 0.886076
161 53H 0.481818 0.764045
162 G5A 0.481132 0.804598
163 SFG 0.480769 0.802632
164 5AS 0.480392 0.744444
165 T5A 0.48 0.86747
166 ADJ 0.48 0.855422
167 139 0.48 0.876543
168 5CD 0.478261 0.763158
169 ADN 0.477778 0.776316
170 XYA 0.477778 0.776316
171 RAB 0.477778 0.776316
172 NAQ 0.477273 0.875
173 SMM 0.477064 0.732558
174 2A5 0.47619 0.848101
175 UP5 0.47541 0.897436
176 TAD 0.475 0.864198
177 ZID 0.473684 0.921053
178 KAA 0.473684 0.777778
179 3NZ 0.473684 0.833333
180 52H 0.472727 0.764045
181 PPS 0.472222 0.788235
182 AF3 ADP 3PG 0.471545 0.864198
183 A3P 0.470588 0.893333
184 ATP A A A 0.470085 0.906667
185 ATP A 0.470085 0.906667
186 NAE 0.469697 0.897436
187 AMP NAD 0.46875 0.933333
188 8X1 0.468468 0.777778
189 UPA 0.467742 0.886076
190 4TC 0.467742 0.898734
191 SAI 0.46729 0.78481
192 H1Q 0.466667 0.857143
193 DZD 0.465116 0.8875
194 A4P 0.464 0.825581
195 7D5 0.463918 0.810127
196 SAM 0.462963 0.738095
197 A4D 0.462366 0.753247
198 J4G 0.46087 0.947368
199 P5A 0.46087 0.769231
200 7D3 0.460784 0.8125
201 NSS 0.460177 0.804598
202 WSA 0.459677 0.835294
203 AHZ 0.459016 0.821429
204 EEM 0.458716 0.738095
205 M2T 0.458333 0.698795
206 DTA 0.458333 0.769231
207 SA8 0.457944 0.756098
208 ATR 0.457944 0.868421
209 8PZ 0.457627 0.825581
210 ITT 0.457143 0.868421
211 7D4 0.457143 0.8125
212 9K8 0.456897 0.73913
213 NVA LMS 0.45614 0.777778
214 EAD 0.455882 0.876543
215 3AM 0.454545 0.855263
216 SAH 0.453704 0.794872
217 NDE 0.453237 0.909091
218 KB1 0.452991 0.768293
219 LEU LMS 0.452174 0.777778
220 S7M 0.45045 0.738095
221 EP4 0.447917 0.716049
222 NDC 0.446809 0.875
223 A2R 0.446429 0.907895
224 0WD 0.446154 0.875
225 BTX 0.446154 0.845238
226 6RE 0.445545 0.743902
227 6AD 0.445455 0.819277
228 A5D 0.444444 0.769231
229 3DH 0.444444 0.734177
230 KOY 0.443548 0.855263
231 P1H 0.442857 0.855422
232 AR6 AR6 0.442623 0.92
233 A2P 0.442308 0.88
234 B1U 0.441667 0.741935
235 MTA 0.438776 0.734177
236 GEK 0.438596 0.7875
237 NJP 0.438462 0.922078
238 J7C 0.436893 0.753086
239 IMO 0.436893 0.88
240 A3N 0.436893 0.725
241 NAJ PZO 0.43609 0.851852
242 0UM 0.434783 0.746988
243 A3S 0.433962 0.815789
244 8Q2 0.433071 0.818182
245 S4M 0.432692 0.674157
246 4CA 0.431507 0.820225
247 ARU 0.431034 0.776471
248 62X 0.431034 0.712644
249 4YB 0.427419 0.827586
250 JSQ 0.427273 0.85
251 HFD 0.427273 0.85
252 FB0 0.426573 0.788889
253 G A A A 0.424242 0.851852
254 V3L 0.423423 0.92
255 NAJ PYZ 0.423358 0.811765
256 7C5 0.422764 0.822785
257 ZAS 0.421569 0.75
258 OZP 0.420635 0.8
259 6MZ 0.419048 0.857143
260 GJV 0.419048 0.73494
261 2SA 0.415929 0.934211
262 2AM 0.415842 0.844156
263 K15 0.415254 0.729412
264 NA7 0.415254 0.884615
265 MAO 0.415094 0.764706
266 649 0.414062 0.808989
267 A G 0.413534 0.8625
268 4TA 0.413534 0.855422
269 A3G 0.413462 0.805195
270 DSH 0.413462 0.731707
271 9JJ 0.412903 0.865854
272 A3T 0.412844 0.779221
273 DAT 0.412844 0.858974
274 NDP 0.412214 0.875
275 NPW 0.412214 0.888889
276 BCA 0.412162 0.820225
277 ETB 0.411765 0.816092
278 DCA 0.411765 0.806818
279 DTP 0.410714 0.858974
280 3AT 0.410714 0.894737
281 FNK 0.410596 0.808989
282 62F 0.410596 0.865854
283 U A G G 0.410448 0.8625
284 NZQ 0.409091 0.8875
285 NO7 0.408696 0.8375
286 5AD 0.408602 0.706667
287 6FA 0.408163 0.86747
288 A7D 0.407407 0.759494
289 COS 0.407143 0.788889
290 CAO 0.407143 0.78022
291 AAT 0.40708 0.714286
292 LQJ 0.406504 0.894737
293 ODP 0.406015 0.864198
294 COA 0.405797 0.806818
295 0T1 0.405797 0.806818
296 SLU 0.404412 0.795455
297 OVE 0.403846 0.8125
298 MHZ 0.40367 0.704545
299 AV2 0.403509 0.822785
300 A6D 0.403361 0.709302
301 N37 0.403101 0.807692
302 SFD 0.402685 0.739583
303 F2N 0.402516 0.818182
304 6C6 0.401786 0.860759
305 AVV 0.401709 0.851852
306 ACO 0.401408 0.78022
307 FDA 0.401361 0.816092
308 YE1 0.401361 0.83908
309 4CO 0.401316 0.820225
310 F0P 0.4 0.8
311 NEC 0.4 0.708861
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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