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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 12 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 (22)
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 3N2Y - TEF C10 H11 N5 O2 c1cc(ccc1C....
15 1ZH6 - 4AF C11 H13 N O3 CC(=O)c1cc....
16 4PBS - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
17 1ZH0 - NAL C13 H13 N O2 c1ccc2cc(c....
18 2CYC - TYR C9 H11 N O3 c1cc(ccc1C....
19 1Q11 - TYE C9 H13 N O2 c1cc(ccc1C....
20 5THH - TYR C9 H11 N O3 c1cc(ccc1C....
21 3VGJ - YAP C19 H23 N6 O9 P c1cc(ccc1C....
22 2J5B - TYE C9 H13 N O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YAP; Similar ligands found: 290
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 ME8 0.707071 0.888889
8 NB8 0.707071 0.923077
9 TYM 0.691589 0.986486
10 8QN 0.690722 0.933333
11 CA0 0.681319 0.921053
12 PAJ 0.666667 0.864198
13 4AD 0.666667 0.947368
14 TYR AMP 0.657143 0.973333
15 A2D 0.644444 0.92
16 DLL 0.643564 0.959459
17 YLP 0.642202 0.86747
18 PTJ 0.640777 0.875
19 YLB 0.63964 0.86747
20 YLC 0.63964 0.888889
21 AN2 0.634409 0.883117
22 AT4 0.634409 0.860759
23 YSA 0.632075 0.847059
24 WAQ 0.631068 0.910256
25 BA3 0.630435 0.92
26 FYA 0.625 0.933333
27 OOB 0.623762 0.959459
28 ADP 0.623656 0.894737
29 AP5 0.623656 0.92
30 B4P 0.623656 0.92
31 B5V 0.615385 0.96
32 00A 0.61165 0.910256
33 AHX 0.61165 0.898734
34 A 0.611111 0.893333
35 AMP 0.611111 0.893333
36 ADX 0.610526 0.809524
37 M33 0.610526 0.883117
38 1ZZ 0.609524 0.843373
39 YLA 0.608696 0.86747
40 3UK 0.605769 0.946667
41 HEJ 0.604167 0.894737
42 ATP 0.604167 0.894737
43 50T 0.604167 0.858974
44 ACP 0.604167 0.896104
45 AYB 0.603448 0.857143
46 PR8 0.6 0.9
47 9SN 0.598131 0.898734
48 APR 0.597938 0.92
49 AQP 0.597938 0.894737
50 5FA 0.597938 0.894737
51 AR6 0.597938 0.92
52 PRX 0.597938 0.848101
53 ANP 0.59596 0.871795
54 YLY 0.595041 0.857143
55 TXA 0.59434 0.909091
56 B5M 0.592593 0.947368
57 B5Y 0.592593 0.947368
58 AGS 0.591837 0.85
59 SAP 0.591837 0.85
60 AD9 0.591837 0.871795
61 ABM 0.591398 0.87013
62 ACQ 0.58 0.896104
63 AP2 0.578947 0.884615
64 A12 0.578947 0.884615
65 AU1 0.57732 0.871795
66 LAQ 0.575221 0.843373
67 XAH 0.572727 0.865854
68 A1R 0.571429 0.886076
69 SRA 0.569892 0.848101
70 ATF 0.568627 0.860759
71 DAL AMP 0.567308 0.907895
72 SON 0.56701 0.934211
73 3OD 0.564815 0.921053
74 GAP 0.564356 0.896104
75 6YZ 0.563107 0.896104
76 9ZD 0.561905 0.886076
77 9ZA 0.561905 0.886076
78 OAD 0.560748 0.921053
79 4UU 0.557522 0.922078
80 ADQ 0.556604 0.921053
81 N0B 0.555556 0.890244
82 4UV 0.553571 0.922078
83 D3Y 0.552381 0.842105
84 A22 0.552381 0.907895
85 APC 0.55 0.884615
86 T99 0.54902 0.860759
87 TAT 0.54902 0.860759
88 25A 0.54717 0.92
89 5SV 0.54717 0.807229
90 9X8 0.546296 0.873418
91 ADV 0.544554 0.909091
92 RBY 0.544554 0.909091
93 A3R 0.542056 0.886076
94 MAP 0.537736 0.85
95 IOT 0.533333 0.857143
96 80F 0.532258 0.890244
97 GA7 0.530435 0.884615
98 ADP PO3 0.529412 0.893333
99 DQV 0.525862 0.933333
100 4UW 0.525424 0.8875
101 NAX 0.525424 0.9
102 DND 0.525424 0.934211
103 NAI 0.525424 0.886076
104 NXX 0.525424 0.934211
105 BIS 0.522523 0.839506
106 M24 0.519685 0.876543
107 25L 0.517857 0.907895
108 MYR AMP 0.517857 0.821429
109 7MD 0.517241 0.888889
110 48N 0.516949 0.898734
111 TXD 0.512605 0.886076
112 BT5 0.512 0.857143
113 LMS 0.510417 0.788235
114 ADP ALF 0.509434 0.82716
115 ALF ADP 0.509434 0.82716
116 G3A 0.508621 0.875
117 TXE 0.508333 0.886076
118 OMR 0.508333 0.833333
119 F2R 0.508065 0.86747
120 VO4 ADP 0.504673 0.883117
121 ADP VO4 0.504673 0.883117
122 SSA 0.504673 0.804598
123 ARG AMP 0.504274 0.855422
124 G5P 0.504274 0.875
125 AFH 0.504274 0.8875
126 AOC 0.5 0.779221
127 6V0 0.5 0.875
128 AMP DBH 0.5 0.896104
129 TSB 0.495413 0.781609
130 5CA 0.495413 0.804598
131 A5A 0.495327 0.790698
132 5X8 0.495146 0.815789
133 COD 0.492063 0.816092
134 NAD 0.492063 0.933333
135 7MC 0.491803 0.86747
136 AP0 0.491803 0.851852
137 LPA AMP 0.491667 0.821429
138 ADP BMA 0.491071 0.896104
139 CNA 0.488 0.934211
140 GTA 0.487395 0.843373
141 GSU 0.486726 0.825581
142 A A 0.486726 0.894737
143 DSZ 0.486486 0.825581
144 LSS 0.486486 0.786517
145 VMS 0.486239 0.772727
146 54H 0.486239 0.772727
147 PAP 0.485714 0.881579
148 A3D 0.484375 0.921053
149 5N5 0.483516 0.753247
150 JB6 0.482456 0.886076
151 53H 0.481818 0.764045
152 G5A 0.481132 0.804598
153 SFG 0.480769 0.802632
154 5AS 0.480392 0.744444
155 T5A 0.48 0.86747
156 ADJ 0.48 0.855422
157 139 0.48 0.876543
158 5CD 0.478261 0.763158
159 RAB 0.477778 0.776316
160 ADN 0.477778 0.776316
161 XYA 0.477778 0.776316
162 NAQ 0.477273 0.875
163 SMM 0.477064 0.732558
164 2A5 0.47619 0.848101
165 UP5 0.47541 0.897436
166 TAD 0.475 0.864198
167 KAA 0.473684 0.777778
168 ZID 0.473684 0.921053
169 3NZ 0.473684 0.833333
170 52H 0.472727 0.764045
171 PPS 0.472222 0.788235
172 AF3 ADP 3PG 0.471545 0.864198
173 A3P 0.470588 0.893333
174 ATP A A A 0.470085 0.906667
175 NAE 0.469697 0.897436
176 AMP NAD 0.46875 0.933333
177 8X1 0.468468 0.777778
178 4TC 0.467742 0.898734
179 UPA 0.467742 0.886076
180 SAI 0.46729 0.78481
181 DZD 0.465116 0.8875
182 A4P 0.464 0.825581
183 7D5 0.463918 0.810127
184 SAM 0.462963 0.738095
185 A4D 0.462366 0.753247
186 P5A 0.46087 0.769231
187 7D3 0.460784 0.8125
188 NSS 0.460177 0.804598
189 WSA 0.459677 0.835294
190 AHZ 0.459016 0.821429
191 EEM 0.458716 0.738095
192 DTA 0.458333 0.769231
193 M2T 0.458333 0.698795
194 SA8 0.457944 0.756098
195 ATR 0.457944 0.868421
196 8PZ 0.457627 0.825581
197 ITT 0.457143 0.868421
198 7D4 0.457143 0.8125
199 9K8 0.456897 0.73913
200 NVA LMS 0.45614 0.777778
201 EAD 0.455882 0.876543
202 3AM 0.454545 0.855263
203 SAH 0.453704 0.794872
204 NDE 0.453237 0.909091
205 KB1 0.452991 0.768293
206 LEU LMS 0.452174 0.777778
207 S7M 0.45045 0.738095
208 EP4 0.447917 0.716049
209 NDC 0.446809 0.875
210 A2R 0.446429 0.907895
211 BTX 0.446154 0.845238
212 0WD 0.446154 0.875
213 6RE 0.445545 0.743902
214 6AD 0.445455 0.819277
215 3DH 0.444444 0.734177
216 A5D 0.444444 0.769231
217 P1H 0.442857 0.855422
218 AR6 AR6 0.442623 0.92
219 A2P 0.442308 0.88
220 MTA 0.438776 0.734177
221 GEK 0.438596 0.7875
222 NJP 0.438462 0.922078
223 J7C 0.436893 0.753086
224 IMO 0.436893 0.88
225 A3N 0.436893 0.725
226 NAJ PZO 0.43609 0.851852
227 0UM 0.434783 0.746988
228 A3S 0.433962 0.815789
229 8Q2 0.433071 0.818182
230 S4M 0.432692 0.674157
231 4CA 0.431507 0.820225
232 ARU 0.431034 0.776471
233 62X 0.431034 0.712644
234 4YB 0.427419 0.827586
235 HFD 0.427273 0.85
236 FB0 0.426573 0.788889
237 G A A A 0.424242 0.851852
238 V3L 0.423423 0.92
239 NAJ PYZ 0.423358 0.811765
240 7C5 0.422764 0.822785
241 ZAS 0.421569 0.75
242 GJV 0.419048 0.73494
243 2SA 0.415929 0.934211
244 2AM 0.415842 0.844156
245 NA7 0.415254 0.884615
246 K15 0.415254 0.729412
247 MAO 0.415094 0.764706
248 649 0.414062 0.808989
249 4TA 0.413534 0.855422
250 A G 0.413534 0.8625
251 A3G 0.413462 0.805195
252 DSH 0.413462 0.731707
253 9JJ 0.412903 0.865854
254 A3T 0.412844 0.779221
255 DAT 0.412844 0.858974
256 NPW 0.412214 0.888889
257 NDP 0.412214 0.875
258 BCA 0.412162 0.820225
259 DCA 0.411765 0.806818
260 ETB 0.411765 0.816092
261 DTP 0.410714 0.858974
262 3AT 0.410714 0.894737
263 FNK 0.410596 0.808989
264 62F 0.410596 0.865854
265 U A G G 0.410448 0.8625
266 NZQ 0.409091 0.8875
267 5AD 0.408602 0.706667
268 6FA 0.408163 0.86747
269 A7D 0.407407 0.759494
270 CAO 0.407143 0.78022
271 COS 0.407143 0.788889
272 AAT 0.40708 0.714286
273 ODP 0.406015 0.864198
274 0T1 0.405797 0.806818
275 COA 0.405797 0.806818
276 SLU 0.404412 0.795455
277 OVE 0.403846 0.8125
278 MHZ 0.40367 0.704545
279 AV2 0.403509 0.822785
280 A6D 0.403361 0.709302
281 SFD 0.402685 0.739583
282 F2N 0.402516 0.818182
283 6C6 0.401786 0.860759
284 AVV 0.401709 0.851852
285 ACO 0.401408 0.78022
286 YE1 0.401361 0.83908
287 FDA 0.401361 0.816092
288 4CO 0.401316 0.820225
289 F0P 0.4 0.8
290 NEC 0.4 0.708861
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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