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 (21)
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 2HGZ - PBF C16 H15 N O3 c1ccc(cc1)....
10 4PBR - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
11 5L7P - BUU C16 H16 N2 O6 c1ccc(c(c1....
12 2PXH - BP5 C13 H13 N3 O2 c1ccnc(c1)....
13 3N2Y - TEF C10 H11 N5 O2 c1cc(ccc1C....
14 1ZH6 - 4AF C11 H13 N O3 CC(=O)c1cc....
15 4PBS - 2L7 C13 H17 Br N2 O3 CC(C)(C(=O....
16 1ZH0 - NAL C13 H13 N O2 c1ccc2cc(c....
17 2CYC - TYR C9 H11 N O3 c1cc(ccc1C....
18 1Q11 - TYE C9 H13 N O2 c1cc(ccc1C....
19 5THH - TYR C9 H11 N O3 c1cc(ccc1C....
20 3VGJ - YAP C19 H23 N6 O9 P c1cc(ccc1C....
21 2J5B - TYE C9 H13 N O2 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YAP; Similar ligands found: 275
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 NB8 0.707071 0.923077
8 ME8 0.707071 0.888889
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 0.663462 0.96
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 YSA 0.632075 0.847059
23 WAQ 0.631068 0.910256
24 BA3 0.630435 0.92
25 FYA 0.625 0.933333
26 OOB 0.623762 0.959459
27 AP5 0.623656 0.92
28 B4P 0.623656 0.92
29 ADP 0.623656 0.894737
30 AHX 0.61165 0.898734
31 00A 0.61165 0.910256
32 A 0.611111 0.893333
33 AMP 0.611111 0.893333
34 M33 0.610526 0.883117
35 ADX 0.610526 0.809524
36 1ZZ 0.609524 0.843373
37 YLA 0.608696 0.86747
38 3UK 0.605769 0.946667
39 ACP 0.604167 0.896104
40 ATP 0.604167 0.894737
41 50T 0.604167 0.858974
42 AYB 0.603448 0.857143
43 PR8 0.6 0.9
44 9SN 0.598131 0.898734
45 AQP 0.597938 0.894737
46 PRX 0.597938 0.848101
47 5FA 0.597938 0.894737
48 APR 0.597938 0.92
49 AR6 0.597938 0.92
50 ANP 0.59596 0.871795
51 YLY 0.595041 0.857143
52 TXA 0.59434 0.909091
53 AGS 0.591837 0.85
54 SAP 0.591837 0.85
55 AD9 0.591837 0.871795
56 ABM 0.591398 0.87013
57 AMP MG 0.580645 0.846154
58 ACQ 0.58 0.896104
59 A12 0.578947 0.884615
60 AP2 0.578947 0.884615
61 AU1 0.57732 0.871795
62 LAQ 0.575221 0.843373
63 XAH 0.572727 0.865854
64 A1R 0.571429 0.886076
65 SRA 0.569892 0.848101
66 ATF 0.568627 0.860759
67 DAL AMP 0.567308 0.907895
68 SON 0.56701 0.934211
69 3OD 0.564815 0.921053
70 GAP 0.564356 0.896104
71 OAD 0.560748 0.921053
72 4UU 0.557522 0.922078
73 ADQ 0.556604 0.921053
74 N0B 0.555556 0.890244
75 4UV 0.553571 0.922078
76 D3Y 0.552381 0.842105
77 A22 0.552381 0.907895
78 APC 0.55 0.884615
79 TAT 0.54902 0.860759
80 5SV 0.54717 0.807229
81 25A 0.54717 0.92
82 ADP MG 0.545455 0.858974
83 ADV 0.544554 0.909091
84 RBY 0.544554 0.909091
85 ADP BEF 0.54 0.8375
86 BEF ADP 0.54 0.8375
87 MAP 0.537736 0.85
88 IOT 0.533333 0.857143
89 ADP PO3 0.529412 0.893333
90 NXX 0.525424 0.934211
91 DND 0.525424 0.934211
92 4UW 0.525424 0.8875
93 NAX 0.525424 0.9
94 NAI 0.525424 0.886076
95 ATP MG 0.524272 0.858974
96 BIS 0.522523 0.839506
97 M24 0.519685 0.876543
98 ANP MG 0.518868 0.85
99 25L 0.517857 0.907895
100 MYR AMP 0.517857 0.821429
101 7MD 0.517241 0.888889
102 48N 0.516949 0.898734
103 TXD 0.512605 0.886076
104 BT5 0.512 0.857143
105 ADP ALF 0.509434 0.82716
106 ALF ADP 0.509434 0.82716
107 G3A 0.508621 0.875
108 TXE 0.508333 0.886076
109 OMR 0.508333 0.833333
110 VO4 ADP 0.504673 0.883117
111 ADP VO4 0.504673 0.883117
112 SSA 0.504673 0.804598
113 AFH 0.504274 0.8875
114 G5P 0.504274 0.875
115 AOC 0.5 0.779221
116 AMP DBH 0.5 0.896104
117 6V0 0.5 0.875
118 ARG AMP 0.495798 0.855422
119 TSB 0.495413 0.781609
120 5CA 0.495413 0.804598
121 A5A 0.495327 0.790698
122 5X8 0.495146 0.815789
123 NAD 0.492063 0.933333
124 COD 0.492063 0.816092
125 AP0 0.491803 0.851852
126 7MC 0.491803 0.86747
127 LPA AMP 0.491667 0.821429
128 ADP BMA 0.491071 0.896104
129 CNA 0.488 0.934211
130 GTA 0.487395 0.843373
131 A A 0.486726 0.894737
132 GSU 0.486726 0.825581
133 DSZ 0.486486 0.825581
134 LSS 0.486486 0.786517
135 VMS 0.486239 0.772727
136 54H 0.486239 0.772727
137 PAP 0.485714 0.881579
138 A3D 0.484375 0.921053
139 5N5 0.483516 0.753247
140 JB6 0.482456 0.886076
141 53H 0.481818 0.764045
142 G5A 0.481132 0.804598
143 SFG 0.480769 0.802632
144 5AS 0.480392 0.744444
145 ADJ 0.48 0.855422
146 139 0.48 0.876543
147 T5A 0.48 0.86747
148 5CD 0.478261 0.763158
149 RAB 0.477778 0.776316
150 XYA 0.477778 0.776316
151 ADN 0.477778 0.776316
152 NAQ 0.477273 0.875
153 SMM 0.477064 0.732558
154 2A5 0.47619 0.848101
155 UP5 0.47541 0.897436
156 TAD 0.475 0.864198
157 KAA 0.473684 0.777778
158 3NZ 0.473684 0.833333
159 ZID 0.473684 0.921053
160 52H 0.472727 0.764045
161 PPS 0.472222 0.788235
162 LA8 ALF 3PG 0.471545 0.864198
163 ALF ADP 3PG 0.471545 0.864198
164 AF3 ADP 3PG 0.471545 0.864198
165 A3P 0.470588 0.893333
166 ATP A A A 0.470085 0.906667
167 NAE 0.469697 0.897436
168 UPA 0.467742 0.886076
169 4TC 0.467742 0.898734
170 SAI 0.46729 0.78481
171 DZD 0.465116 0.8875
172 A4P 0.464 0.825581
173 7D5 0.463918 0.810127
174 SAM 0.462963 0.738095
175 A4D 0.462366 0.753247
176 NAD IBO 0.460938 0.873418
177 P5A 0.46087 0.769231
178 7D3 0.460784 0.8125
179 NSS 0.460177 0.804598
180 WSA 0.459677 0.835294
181 AHZ 0.459016 0.821429
182 EEM 0.458716 0.738095
183 DTA 0.458333 0.769231
184 M2T 0.458333 0.698795
185 ATR 0.457944 0.868421
186 SA8 0.457944 0.756098
187 ITT 0.457143 0.868421
188 7D4 0.457143 0.8125
189 NVA LMS 0.45614 0.766667
190 EAD 0.455882 0.876543
191 3AM 0.454545 0.855263
192 SAH 0.453704 0.794872
193 NDE 0.453237 0.909091
194 KB1 0.452991 0.768293
195 LEU LMS 0.452174 0.766667
196 AMP NAD 0.451852 0.909091
197 S7M 0.45045 0.738095
198 EP4 0.447917 0.716049
199 NDC 0.446809 0.875
200 A2R 0.446429 0.907895
201 0WD 0.446154 0.875
202 BTX 0.446154 0.845238
203 6RE 0.445545 0.743902
204 6AD 0.445455 0.819277
205 A5D 0.444444 0.769231
206 3DH 0.444444 0.734177
207 P1H 0.442857 0.855422
208 AR6 AR6 0.442623 0.92
209 A2P 0.442308 0.88
210 MTA 0.438776 0.734177
211 GEK 0.438596 0.7875
212 NJP 0.438462 0.922078
213 J7C 0.436893 0.753086
214 A3N 0.436893 0.725
215 IMO 0.436893 0.88
216 NAJ PZO 0.43609 0.851852
217 0UM 0.434783 0.746988
218 A3S 0.433962 0.815789
219 NAJ PYZ 0.433824 0.853659
220 S4M 0.432692 0.674157
221 4CA 0.431507 0.820225
222 62X 0.431034 0.712644
223 ARU 0.431034 0.776471
224 4YB 0.427419 0.827586
225 FB0 0.426573 0.788889
226 G A A A 0.424242 0.851852
227 V3L 0.423423 0.92
228 7C5 0.422764 0.822785
229 ZAS 0.421569 0.75
230 GJV 0.419048 0.73494
231 2SA 0.415929 0.934211
232 2AM 0.415842 0.844156
233 K15 0.415254 0.729412
234 NA7 0.415254 0.884615
235 MAO 0.415094 0.764706
236 649 0.414062 0.808989
237 4TA 0.413534 0.855422
238 A3G 0.413462 0.805195
239 DSH 0.413462 0.731707
240 A3T 0.412844 0.779221
241 DAT 0.412844 0.858974
242 NDP 0.412214 0.875
243 NPW 0.412214 0.888889
244 BCA 0.412162 0.820225
245 DCA 0.411765 0.806818
246 ETB 0.411765 0.816092
247 3AT 0.410714 0.894737
248 DTP 0.410714 0.858974
249 FNK 0.410596 0.808989
250 62F 0.410596 0.865854
251 U A G G 0.410448 0.8625
252 NZQ 0.409091 0.8875
253 5AD 0.408602 0.706667
254 6FA 0.408163 0.86747
255 A7D 0.407407 0.759494
256 COS 0.407143 0.788889
257 CAO 0.407143 0.78022
258 AAT 0.40708 0.714286
259 ODP 0.406015 0.864198
260 0T1 0.405797 0.806818
261 COA 0.405797 0.806818
262 SLU 0.404412 0.795455
263 OVE 0.403846 0.8125
264 MHZ 0.40367 0.704545
265 AV2 0.403509 0.822785
266 A6D 0.403361 0.709302
267 SFD 0.402685 0.739583
268 F2N 0.402516 0.818182
269 6C6 0.401786 0.860759
270 AVV 0.401709 0.851852
271 ACO 0.401408 0.78022
272 FDA 0.401361 0.816092
273 YE1 0.401361 0.83908
274 4CO 0.401316 0.820225
275 NEC 0.4 0.708861
Similar Binding Sites (Proteins are less than 50% similar to leader)
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