Receptor
PDB id Resolution Class Description Source Keywords
6T03 1.5 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF YTHDC1 WITH FRAGMENT 16 (DHU_DC1_017) HOMO SAPIENS FRAGMENT COMPLEX YTHDC1 EPITRANSCRIPTOMIC RNA BINDING PR
Ref.: SELECTIVELY DISRUPTING M6A-DEPENDENT PROTEIN-RNA INTERACTIONS WITH FRAGMENTS. ACS CHEM.BIOL. V. 15 618 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:602;
A:602;
B:601;
A:601;
B:603;
A:603;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
MZY A:604;
B:604;
 Valid;
Valid;
 none;
none;
 ic50 > 1000 uM
100.142 C3 H4 N2 S C1=CN...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RT7 1.73 Å NON-ENZYME: OTHER THE YTH DOMAIN OF YTHDC1 PROTEIN IN COMPLEX WITH GM6ACU OLIGONUCLEOTIDE HOMO SAPIENS PROTEIN-RNA INTERACTION EPITRANSCRIPTOMICS RNA BINDING PRO
Ref.: FLEXIBLE BINDING OF M6A READER PROTEIN YTHDC1 TO IT PREFERRED RNA MOTIF. J CHEM THEORY COMPUT V. 15 7004 2019
Members (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6T07 ic50 > 1000 uM M45 C6 H11 N5 c1nc([nH]n....
2 6SZ1 ic50 > 1000 uM M0W C9 H9 N3 CNc1c2cccc....
3 6T0O - M6N C8 H7 N3 O CC1=Nc2cnc....
4 6SZY ic50 > 1000 uM M5N C11 H16 N2 O CC(C)C1=NC....
5 6SYZ ic50 > 1000 uM M1E C7 H7 N3 S CNc1c2c(cc....
6 6RT5 - G 6MZ C n/a n/a
7 6T01 ic50 = 2057 uM M4B C11 H9 N3 O3 CC1=C(C(=N....
8 6SZ2 - M0Q C9 H9 N3 CNc1ccnc2c....
9 6SZN ic50 > 1000 uM YZM C8 H8 N2 O2 c1ccc(cc1)....
10 6T04 ic50 > 1000 uM M3H C9 H10 N2 c1ccc(cc1)....
11 6SZT ic50 = 1926 uM M4Q C11 H13 N3 O2 S CN(Cc1ccsc....
12 6T05 ic50 > 1000 uM M6H C10 H14 N2 c1ccc(cc1)....
13 6T0C Kd = 22 uM M4E C9 H9 N3 O CNC(=O)c1c....
14 6SZ7 ic50 = 1615 uM M1Q C8 H10 N2 O2 C1CCC2=NC(....
15 6T08 ic50 > 1000 uM M5B C7 H7 N3 O2 S2 c1cc(sc1)S....
16 6SZL ic50 > 1000 uM M3E C10 H8 N2 O2 c1ccc(cc1)....
17 6T11 ic50 = 402 uM O2A C10 H10 N2 O CNC(=O)c1c....
18 6T0Z ic50 > 1000 uM M75 C6 H9 N3 O2 S c1c(nc[nH]....
19 6SZX Kd = 58 uM M4K C15 H17 N3 O2 c1ccc(cc1)....
20 6T02 ic50 > 1000 uM M5E C11 H15 N O c1ccc(cc1)....
21 6RT4 - 6MZ C U n/a n/a
22 6T03 ic50 > 1000 uM MZY C3 H4 N2 S C1=CNC(=S)....
23 6RT7 Kd = 3.7 uM G 6MZ C U n/a n/a
24 6T0A ic50 = 2040 uM M58 C6 H8 N2 S c1cc(cnc1)....
25 6SZR ic50 > 1000 uM M3Z C13 H15 N3 O2 CN(Cc1cccc....
26 6T10 ic50 = 348 uM M6Z C9 H8 I N3 O CNC(=O)c1c....
27 6RT6 Kd = 11.1 uM G G 6MZ C n/a n/a
28 6SZ3 - M1H C10 H14 N2 CNc1ccnc2c....
29 6T0X ic50 > 1000 uM M6W C6 H12 N2 O CNC(=O)[C@....
30 6T06 ic50 = 2010 uM M5H C10 H12 N4 c1ccc2c(c1....
31 6SZ8 ic50 > 1000 uM M1Z C8 H11 N3 O2 C1CCN(C1)C....
32 6T12 ic50 = 825 uM M78 C12 H14 N2 O Cc1c([nH]c....
33 6T0D ic50 = 391 uM M4N C11 H11 N3 O CNC(=O)c1c....
34 6T09 - M4T C7 H8 N2 O CC(=O)Nc1c....
70% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 6T07 ic50 > 1000 uM M45 C6 H11 N5 c1nc([nH]n....
2 6SZ1 ic50 > 1000 uM M0W C9 H9 N3 CNc1c2cccc....
3 6T0O - M6N C8 H7 N3 O CC1=Nc2cnc....
4 6SZY ic50 > 1000 uM M5N C11 H16 N2 O CC(C)C1=NC....
5 6SYZ ic50 > 1000 uM M1E C7 H7 N3 S CNc1c2c(cc....
6 6RT5 - G 6MZ C n/a n/a
7 6T01 ic50 = 2057 uM M4B C11 H9 N3 O3 CC1=C(C(=N....
8 6SZ2 - M0Q C9 H9 N3 CNc1ccnc2c....
9 6SZN ic50 > 1000 uM YZM C8 H8 N2 O2 c1ccc(cc1)....
10 6T04 ic50 > 1000 uM M3H C9 H10 N2 c1ccc(cc1)....
11 6SZT ic50 = 1926 uM M4Q C11 H13 N3 O2 S CN(Cc1ccsc....
12 6T05 ic50 > 1000 uM M6H C10 H14 N2 c1ccc(cc1)....
13 6T0C Kd = 22 uM M4E C9 H9 N3 O CNC(=O)c1c....
14 6SZ7 ic50 = 1615 uM M1Q C8 H10 N2 O2 C1CCC2=NC(....
15 6T08 ic50 > 1000 uM M5B C7 H7 N3 O2 S2 c1cc(sc1)S....
16 6SZL ic50 > 1000 uM M3E C10 H8 N2 O2 c1ccc(cc1)....
17 6T11 ic50 = 402 uM O2A C10 H10 N2 O CNC(=O)c1c....
18 6T0Z ic50 > 1000 uM M75 C6 H9 N3 O2 S c1c(nc[nH]....
19 6SZX Kd = 58 uM M4K C15 H17 N3 O2 c1ccc(cc1)....
20 6T02 ic50 > 1000 uM M5E C11 H15 N O c1ccc(cc1)....
21 6RT4 - 6MZ C U n/a n/a
22 6T03 ic50 > 1000 uM MZY C3 H4 N2 S C1=CNC(=S)....
23 6RT7 Kd = 3.7 uM G 6MZ C U n/a n/a
24 6T0A ic50 = 2040 uM M58 C6 H8 N2 S c1cc(cnc1)....
25 6SZR ic50 > 1000 uM M3Z C13 H15 N3 O2 CN(Cc1cccc....
26 6T10 ic50 = 348 uM M6Z C9 H8 I N3 O CNC(=O)c1c....
27 6RT6 Kd = 11.1 uM G G 6MZ C n/a n/a
28 6SZ3 - M1H C10 H14 N2 CNc1ccnc2c....
29 6T0X ic50 > 1000 uM M6W C6 H12 N2 O CNC(=O)[C@....
30 6T06 ic50 = 2010 uM M5H C10 H12 N4 c1ccc2c(c1....
31 6SZ8 ic50 > 1000 uM M1Z C8 H11 N3 O2 C1CCN(C1)C....
32 6T12 ic50 = 825 uM M78 C12 H14 N2 O Cc1c([nH]c....
33 6T0D ic50 = 391 uM M4N C11 H11 N3 O CNC(=O)c1c....
34 6T09 - M4T C7 H8 N2 O CC(=O)Nc1c....
50% Homology Family (34)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6T07 ic50 > 1000 uM M45 C6 H11 N5 c1nc([nH]n....
2 6SZ1 ic50 > 1000 uM M0W C9 H9 N3 CNc1c2cccc....
3 6T0O - M6N C8 H7 N3 O CC1=Nc2cnc....
4 6SZY ic50 > 1000 uM M5N C11 H16 N2 O CC(C)C1=NC....
5 6SYZ ic50 > 1000 uM M1E C7 H7 N3 S CNc1c2c(cc....
6 6RT5 - G 6MZ C n/a n/a
7 6T01 ic50 = 2057 uM M4B C11 H9 N3 O3 CC1=C(C(=N....
8 6SZ2 - M0Q C9 H9 N3 CNc1ccnc2c....
9 6SZN ic50 > 1000 uM YZM C8 H8 N2 O2 c1ccc(cc1)....
10 6T04 ic50 > 1000 uM M3H C9 H10 N2 c1ccc(cc1)....
11 6SZT ic50 = 1926 uM M4Q C11 H13 N3 O2 S CN(Cc1ccsc....
12 6T05 ic50 > 1000 uM M6H C10 H14 N2 c1ccc(cc1)....
13 6T0C Kd = 22 uM M4E C9 H9 N3 O CNC(=O)c1c....
14 6SZ7 ic50 = 1615 uM M1Q C8 H10 N2 O2 C1CCC2=NC(....
15 6T08 ic50 > 1000 uM M5B C7 H7 N3 O2 S2 c1cc(sc1)S....
16 6SZL ic50 > 1000 uM M3E C10 H8 N2 O2 c1ccc(cc1)....
17 6T11 ic50 = 402 uM O2A C10 H10 N2 O CNC(=O)c1c....
18 6T0Z ic50 > 1000 uM M75 C6 H9 N3 O2 S c1c(nc[nH]....
19 6SZX Kd = 58 uM M4K C15 H17 N3 O2 c1ccc(cc1)....
20 6T02 ic50 > 1000 uM M5E C11 H15 N O c1ccc(cc1)....
21 6RT4 - 6MZ C U n/a n/a
22 6T03 ic50 > 1000 uM MZY C3 H4 N2 S C1=CNC(=S)....
23 6RT7 Kd = 3.7 uM G 6MZ C U n/a n/a
24 6T0A ic50 = 2040 uM M58 C6 H8 N2 S c1cc(cnc1)....
25 6SZR ic50 > 1000 uM M3Z C13 H15 N3 O2 CN(Cc1cccc....
26 6T10 ic50 = 348 uM M6Z C9 H8 I N3 O CNC(=O)c1c....
27 6RT6 Kd = 11.1 uM G G 6MZ C n/a n/a
28 6SZ3 - M1H C10 H14 N2 CNc1ccnc2c....
29 6T0X ic50 > 1000 uM M6W C6 H12 N2 O CNC(=O)[C@....
30 6T06 ic50 = 2010 uM M5H C10 H12 N4 c1ccc2c(c1....
31 6SZ8 ic50 > 1000 uM M1Z C8 H11 N3 O2 C1CCN(C1)C....
32 6T12 ic50 = 825 uM M78 C12 H14 N2 O Cc1c([nH]c....
33 6T0D ic50 = 391 uM M4N C11 H11 N3 O CNC(=O)c1c....
34 6T09 - M4T C7 H8 N2 O CC(=O)Nc1c....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MZY; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 MZY 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: MZY; Similar ligands found: 314
No: Ligand Similarity coefficient
1 5KX 1.0000
2 4MZ 1.0000
3 2MZ 1.0000
4 ES3 1.0000
5 5MP 1.0000
6 JZ6 1.0000
7 BYZ 1.0000
8 PYZ 1.0000
9 1MZ 0.9960
10 3TR 0.9954
11 1CB 0.9949
12 2AI 0.9937
13 3MT 0.9936
14 HOW 0.9928
15 BAQ 0.9917
16 CYH 0.9912
17 MR3 0.9907
18 6SP 0.9895
19 AMT 0.9891
20 GBL 0.9891
21 IPH 0.9825
22 CXL 0.9809
23 MZ0 0.9803
24 MBN 0.9790
25 WOT 0.9788
26 3AP 0.9784
27 V1L 0.9783
28 GXE 0.9777
29 HAI 0.9768
30 4AP 0.9766
31 2AP 0.9759
32 PIH 0.9757
33 LGA 0.9750
34 TTO 0.9748
35 ATQ 0.9743
36 HHN 0.9739
37 NVI 0.9736
38 HGW 0.9728
39 A2Q 0.9720
40 HVK 0.9702
41 2IM 0.9696
42 HRZ 0.9693
43 9PO 0.9690
44 OXL 0.9682
45 GOA 0.9675
46 8CL 0.9673
47 7EX 0.9662
48 GOL 0.9658
49 3ZS 0.9603
50 BVG 0.9600
51 GLV 0.9584
52 OXM 0.9570
53 93B 0.9570
54 E60 0.9555
55 MMZ 0.9554
56 MB3 0.9548
57 HAE 0.9544
58 PPI 0.9537
59 HYN 0.9536
60 OXD 0.9530
61 NMU 0.9523
62 HIU 0.9514
63 HSL 0.9511
64 MGX 0.9504
65 KSW 0.9502
66 NHY 0.9498
67 PYR 0.9492
68 BVC 0.9490
69 HVQ 0.9476
70 L60 0.9465
71 FAH 0.9448
72 AGU 0.9430
73 CEJ 0.9424
74 3OH 0.9422
75 2EZ 0.9421
76 F3V 0.9418
77 BXA 0.9417
78 P1R 0.9414
79 B20 0.9413
80 4AX 0.9413
81 XIX 0.9413
82 DMI 0.9406
83 3PY 0.9405
84 MEU 0.9404
85 0PY 0.9403
86 2A1 0.9403
87 25T 0.9401
88 BNZ 0.9397
89 GLY 0.9395
90 DGY 0.9394
91 HVB 0.9392
92 24T 0.9391
93 AKR 0.9390
94 MMU 0.9389
95 ALA 0.9378
96 XAP 0.9367
97 PHZ 0.9358
98 PZO 0.9352
99 LAC 0.9350
100 F50 0.9342
101 KG7 0.9340
102 HUH 0.9338
103 282 0.9335
104 DMG 0.9334
105 PRI 0.9333
106 DSN 0.9333
107 HGY 0.9332
108 FPI 0.9332
109 AMC 0.9320
110 R3W 0.9320
111 IMD 0.9315
112 1DH 0.9312
113 NIE 0.9310
114 EGD 0.9309
115 03W 0.9308
116 SER 0.9292
117 DTI 0.9292
118 2OP 0.9277
119 ATO 0.9271
120 ABN 0.9269
121 HBS 0.9268
122 APY 0.9266
123 61G 0.9261
124 BU4 0.9257
125 BUO 0.9249
126 280 0.9249
127 PY7 0.9248
128 26D 0.9246
129 PXO 0.9246
130 DAL 0.9241
131 NBE 0.9239
132 GXV 0.9239
133 C5J 0.9237
134 HBX 0.9234
135 3GR 0.9230
136 HPY 0.9224
137 SYN 0.9222
138 HUI 0.9220
139 TSZ 0.9218
140 MLI 0.9214
141 PYM 0.9205
142 4JU 0.9205
143 TRI 0.9204
144 DUC 0.9197
145 PYJ 0.9193
146 MLA 0.9187
147 278 0.9176
148 BMD 0.9175
149 285 0.9173
150 H3M 0.9169
151 BAL 0.9168
152 NIS 0.9163
153 PXY 0.9162
154 BUA 0.9160
155 2KT 0.9159
156 ETF 0.9149
157 LG3 0.9146
158 RCO 0.9146
159 2MH 0.9143
160 4XX 0.9143
161 ITU 0.9141
162 NAK 0.9140
163 HQE 0.9140
164 1MR 0.9138
165 25R 0.9138
166 URA 0.9137
167 5Y9 0.9137
168 CRS 0.9127
169 8GF 0.9118
170 4H2 0.9115
171 CYS 0.9114
172 LG5 0.9113
173 J3K 0.9112
174 LG4 0.9105
175 3CH 0.9103
176 TMZ 0.9102
177 BVF 0.9102
178 CYT 0.9092
179 B24 0.9090
180 PYF 0.9082
181 TCV 0.9082
182 BUQ 0.9081
183 9CL 0.9081
184 PCR 0.9080
185 2HA 0.9072
186 1AC 0.9072
187 HGQ 0.9071
188 PLQ 0.9067
189 ABA 0.9066
190 FW5 0.9061
191 ECE 0.9058
192 3CL 0.9057
193 HHQ 0.9052
194 BRP 0.9050
195 938 0.9048
196 DA1 0.9046
197 HEW 0.9043
198 2A3 0.9042
199 CHT 0.9042
200 93Q 0.9042
201 8LG 0.9039
202 RP7 0.9038
203 FPN 0.9035
204 BEW 0.9032
205 4CH 0.9028
206 P2D 0.9026
207 FP2 0.9024
208 M3T 0.9022
209 BML 0.9022
210 OHG 0.9021
211 CNH 0.9016
212 L89 0.9014
213 CIG 0.9012
214 284 0.9005
215 MTG 0.9000
216 4JN 0.9000
217 B3R 0.8998
218 DXX 0.8992
219 IOL 0.8992
220 AOA 0.8987
221 JZ0 0.8987
222 1AN 0.8987
223 6X8 0.8986
224 HSM 0.8985
225 HLT 0.8977
226 FOA 0.8976
227 2CH 0.8974
228 9A4 0.8973
229 HTS 0.8972
230 JBN 0.8971
231 J1Z 0.8969
232 92Z 0.8966
233 CAQ 0.8964
234 ALF 0.8960
235 ALQ 0.8960
236 PYC 0.8959
237 ETM 0.8949
238 1BP 0.8946
239 PRO 0.8942
240 CP2 0.8940
241 TZC 0.8936
242 ICC 0.8934
243 2RA 0.8934
244 TMT 0.8932
245 IDH 0.8927
246 HV2 0.8924
247 4HS 0.8923
248 1DU 0.8903
249 PUT 0.8896
250 SMV 0.8888
251 SAR 0.8885
252 3ZQ 0.8881
253 DBB 0.8878
254 A3B 0.8878
255 TAN 0.8874
256 NCM 0.8873
257 ACT 0.8871
258 THR 0.8853
259 FJO 0.8851
260 9X7 0.8851
261 2PC 0.8840
262 HBR 0.8837
263 2AF 0.8836
264 TFB 0.8835
265 HSE 0.8824
266 40O 0.8822
267 YAN 0.8820
268 JAB 0.8819
269 BUB 0.8817
270 MTD 0.8810
271 MSF 0.8810
272 BTL 0.8800
273 LER 0.8799
274 76X 0.8798
275 TP5 0.8795
276 TF4 0.8786
277 SSN 0.8786
278 OXE 0.8780
279 TB0 0.8780
280 LDU 0.8761
281 265 0.8759
282 D2P 0.8753
283 JZ5 0.8753
284 3BB 0.8750
285 2HE 0.8740
286 TAY 0.8735
287 273 0.8734
288 KIV 0.8733
289 R8A 0.8731
290 RSF 0.8723
291 IQ0 0.8711
292 MAK 0.8703
293 1AB 0.8699
294 JZ3 0.8699
295 T2C 0.8693
296 R2B 0.8689
297 AAE 0.8683
298 XPO 0.8682
299 PPF 0.8676
300 ISU 0.8666
301 8X3 0.8663
302 BP9 0.8660
303 ASP 0.8648
304 CP 0.8638
305 AXO 0.8638
306 JZ1 0.8635
307 51F 0.8626
308 EDG 0.8616
309 ICN 0.8616
310 286 0.8596
311 MRY 0.8593
312 DPR 0.8587
313 47J 0.8582
314 2PO 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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